TYC Soirée on Molecular Dynamics
"Computational Models of Complex Membranes for Drug Delivery"
Lecturer: Christian Jorgensen, University of Portsmouth

"Learning (from) protein dynamics"
Lecturer: Matteo T. Degiacomi, Durham University 

Date: 12 December 2024, 3:00-5:00 PM CET
Venue: Online
MedChemCASES webinar
Title: Identification and Optimization of Novel GPR126 Positive Allosteric Modulators - targeting a highly lipophilic cavity at the TM/lipid bilayer interface
Speaker: Dr. Stefanie Flohr (Novartis)

Title: Structure-activity and structural determinants of compstatins, first in class cyclic peptides complement C3 inhibitors
Speaker: Dr. Christina Lamers (University of Leipzig)
​
Date: 9 December, 2024, 5:00-6:30 PM CET
Venue: online
4th EFMC² Tandem Talks
Jointly organized by the EFMC and the EFMC Computational Chemistry Initiative (EFMC²)
PROGRAMME:​
  • 16:00 | Welcome & Introduction
  • 16:05 | Presentation of the EFMC Computational Chemistry Initiative
  • 16:10 | Accelerated Discovery of a Carbamate Scaffold Cbl-b Inhibitor Using Generative Models and Structure-based Drug Design
    • Dr Taylor QUINN (AstraZeneca, United States)
    • Dr Gail WRIGLEY (AstraZeneca, United Kingdom)
    • Dr Alex CHINN (AstraZeneca, United States)
  • 16:40 | Round Table Discussion
    • Dr Alex CHINN (AstraZeneca, United States)
    • Dr Christian KRAMER (F. Hoffmann-La Roche, Switzerland)
    • Dr Taylor QUINN (AstraZeneca, United States)
    • Dr Tristan REUILLON (F. Hoffmann-La Roche, Switzerland)
    • Dr Gail WRIGLEY (AstraZeneca, United Kingdom)
  • 17:00 | End of the Webinar
Date: December 5, 2024, 16:00 to 17:00 CET
Venue: online
Jülich Supercomputing Center, 2024 part 2
"High-performance scientific computing in C++​"

Instructor: Dr. Sandipan Mohanty, JSC
Date: 28-31 October 2024, 09:00-16:30 CET
Venue: Online

Registration deadline: 14 October, 2024
"Directive-based GPU programming with OpenACC"

Instructors: Dr. Andreas Herten, Dr. Thorsten Hater, Dr. Kaveh Haghighi-Mood, Dr. Jan Meinke, JSC; Jiri Kraus, Markus Hrywniak, NVIDIA
Date: 29 October - 1 November 2024, 09:00-13:00 CET
Venue: Online

Registration deadline: 15 October, 2024
"Introduction to Supercomputing at JSC - Theory & Practice"

Instructors: JSC employees, representatives of Atos, Intel and ParTec
Date: 11-14 November, starting on Monday at 13:00, Tuesday to Thursday: 09:00-17:00 CET
Venue: Online

Registration deadline: 4 November, 2024
"Advanced Parallel Programming with MPI and OpenMP"

Instructors: Dr. Rolf Rabenseifner, HLRS Stuttgart
Date: 2-4 December 2024, 08:45-16:45; 5 December 2024, 08:45-16:15 CET
Venue: Online

Registration deadline: 25 November, 2024
"Bringing Deep Learning Workloads to JSC supercomputers"

Instructors: Dr. Alexandre Strube, Sabrina Narimene Benassou
Date: 3-4 December, 10:00-14:00 each day​ CET
Venue: Online

Registration deadline: 26 November, 2024
CCPBioSim Industry Talk - Acellera
Title: Applications of MD simulations in computational drug discovery pipelines
Lecturer: Adria Perez, Acellera​
Date: 6 November, 2024, 15:00 - 16:30 (CET)
Venue: online
In silico Drug Discovery Workshop
Lecturers: 
  • Alex Zhavoronkov, Founder and CEO, Insilico Medicine
  • Alexander Tropsha, KH Lee Distinguished Professor, UNC Eshelman School of Pharmacy, UNC Chapel Hill
  • Alexandre Varnek, Professor, University of Strasbourg (France)
  • Alexey Zakharov, Informatics Group Leader, NCATS
  • Barbara Zdrazil, ChEMBL Coordinator, Chemical Biology Services, European Bioinformatics Institute (EMBL-EBI)
  • Bryn Taylor, PhD. Scientist, In Silico Discovery, Johnson & Johnson Innovative Medicine
  • Cheryl Arrowsmith, CSO, Structural Genomics Consortium, University of Toronto
  • Connor W. Coley, Assistant Professor, Massachusetts Institute of Technology
  • David Baker, HHMI investigator, professor of biochemistry, and director of the Institute for Protein Design, University of Washington School of Medicine
  • Gisbert Schneider, ETH Zürich
  • Joel Karpiak, GSK
  • John D. Chodera, Member, Computational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center
  • Joni L. Rutter, Director, NCATS
  • Marissa Saunders, Senior Director, Data Science, Recursion Pharmaceuticals
  • Martha S. Head (Marti), Executive Director, Computational and Data Sciences, Amgen Inc.
  • Milad Abolhasani, ALCOA Professor and University Faculty Scholar
  • Pat Walters, Chief Data Officer, Relay Therapeutics
  • Rommie Amaro, Rommie E. Amaro, Professor of Molecular Biology, Distinguished Professorship in Computational and Theoretical Chemistry, University of California, San Diego
  • Russ B. Altman, The Kenneth Fong Professor of Bioengineering, Genetics, Medicine, & Biomedical Data Science, and, by courtesy, Computer Science Senior Fellow, Stanford Institute for Human-Centered AI, Stanford University
  • Sarine Markossian, Editor-in-Chief, Assay Guidance Manual (AGM); Lead, AGM Translational Science Resources Program, NCATS
  • Sean Ekins, CEO, Collaborations Pharmaceuticals, Inc.
  • Shyam Rele, Program Officer and Sr. Subject Matter Expert, BARDA
  • Stephen K. Burley, University Professor and Henry Rutgers Chair

Date: Wed, Oct 23, 2024, 5:00 PM CET – Fri, Oct 25, 2024, 11:15 AM CET
Venue: virtual

This workshop is jointly organized by National Center for Advancing Translational Sciences (NCATS), Biomedical Advanced Research and Development Authority (BARDA), University of California San Diego (UCSD), and The University of North Carolina at Chapel Hill (UNC).
Podcast: How chemists jump from PhD to CEO
Reporter Matt Blois discusses how start-up founders are making the transition.

Host: Craig Bettenhausen
Date: Anytime

Registration: Free but requires login
Understanding Peripheral Protein-Membrane Interactions: Membrane Recognition, Dynamics, Function and Therapeutic Opportunities
Title: Impact and value of chemistry in the pharmaceutical industry
Lecturers: Rebecca Green, Ph.D., Senior Principal Scientist, Chemical Process Development (Bristol Myers Squibb)
Nicholas Wurtz, Ph.D., Scientific Associate Director, Small Molecule Drug Discovery (Bristol Myers Squibb)
Date: 25-27 Sept, 2024, 21:00 - 22:00 (CET)
Venue: CECAM-HQ-EPFL, BCH2103, Lausanne, Switzerland & online (hybrid)

Registration deadline: 18 September, 2024
MedChemCASES webinar
Title: Design of Potent and Orally Available Antimalarial PMX Inhibitors via Molecular Property Optimization
Speaker: Dr. Teresa de Haro (UCB)
Date: September 24, 2024, 5:00-6:00 PM CET
Venue: online
BMS Chemistry Event
Title: Impact and value of chemistry in the pharmaceutical industry
Lecturers: Rebecca Green, Ph.D., Senior Principal Scientist, Chemical Process Development (Bristol Myers Squibb)
Nicholas Wurtz, Ph.D., Scientific Associate Director, Small Molecule Drug Discovery (Bristol Myers Squibb)
Date: 31 July, 2024, 21:00 - 22:00 (CET)
Venue: online
CCPBioSim Industry Talk - Chemical Computing Group
Title: At the Interface of Academia and Industry for 35 Years... (aka - "You get less time for murder!")
Lecturer: Steve Maginn, Chemical Computing Group / Molecular Graphics and Modelling Society and focus on careers​
Date: 10 July, 2024, 15:00 - 16:30 (CET)
Venue: online
CCPBioSim Industry Talk - MDAnalysis
Title: MDAnalysis and Alchemical Simulations
Lecturer: Richard Gowers, Open Free Energy project​
Date: 19 June, 2024, 15:00 - 16:30 (CET)
Venue: online
MedChemCASES webinar
Title: “Magic Chloro”: Profound Effects of the Chlorine Atom in Drug Discovery
Speaker: Dr. Yoshihiro Ishihara (Vividion Therapeutics)
Date: June 12, 2024, 5:00-6:00 PM CET
Venue: online
18th EFMC-YSN MedChemBioOnline​
PROGRAMME:
  • 16:30 | Welcome and Introduction 
  • 16:40 | Design and Serendipity in Nucleic Acid Chemical Biology
    Prof. Claudia Höbartner (University of Würzburg, Germany)
  • 17:00 | Probing the Invisible: Leveraging Chemical Probes to Elucidate Molecular Interactions
    Dr Arne Rufer (F. Hoffmann-La Roche, Switzerland)
  • 17:20 | Boost your Researcher's Career with ChemBioChem/ChemMedChem
  • 17:30 | Discovering Tools to Fight Against Neurodegeneration: from PhD Student to Junior PI
    Prof. Valle Palomo (IMDEA Nanocience, Spain)
  • 17:50 | Round Table Discussion: "Becoming a Chemical Biologist"
    • Prof. Claudia Höbartner (University of Würzburg, Germany)
    • Dr Sean McKenna (Leiden University, The Netherlands)
    • Dr Arne Rufer (F. Hoffmann-La Roche, Switzerland)
    • Prof. Valle Palomo (IMDEA Nanocience, Spain)
  • 18:30 | End of the Webinar ​
Date:  June 11, 2024, 16:30 - 18:30 (CET)
Venue: online
CCPBioSim Industry Talk - D.E. Shaw
Title: Using specialized hardware pipelines to massively accelerate molecular dynamics simulations in Anton 3
Lecturer: Brannon Batson, D. E. Shaw Research​
Date: 29 May, 2024, 16:00 - 17:30 (CET)
Venue: online
3rd EFMC² Tandem Talks
Jointly organized by the EFMC and the EFMC Computational Chemistry Initiative (EFMC²)
PROGRAMME:​
  • Accelerating Lead Optimisation by Constantly Rebuilding Free Wilson Models Using Automated Core Finding in Anti-Viral Drug Discovery
    • Dr Ed GRIFFEN, Medchemica Ltd, United Kingdom
    • Dr Jessica STACEY, Medchemica Ltd, United Kingdom
  • Round Table Discussion, moderated by members of the EFMC²
Date: May 28, 2024, 16:00 to 17:00 CET
Venue: online
MedChemCASES webinar
Title: Discovery of MRT-2359, an orally bioavailable GSPT1 molecular glue degrader
Speaker: Dr. Beatrice Ranieri (Monte Rosa Therapeutics)
Date: May 16, 2024, 5:00-6:00 PM CET
Venue: online
Budapest University of Technology and Economics lecture 2024
Title: CV and Essay Writing Workshop (Fulbright)
Lecturer: Brittney KLEIN, US Fulbright Grantee, Fulbright Hungary​ 
Code: PHDLA2082​
Date: 18-04-2024, 15:30 - 17:00 CET
Location: Online (Link will be sent in the reply after e-mail registration)
Title: Terminology and Translation of Publications
Lecturer: Dr. Gabriella THOMAZY, Translator specialising in Technical, Economic and Social Sciences PhD in Military Sciences, educational background in Sociology, HR Management, and Education Studies
Katalin MáTé, Translator specialising in Economics, Technology and EU, Dramaturge, Economist and Tax Consultant
Code: PHDLA1124​
Date: 09.05.2024 14:15 - 16:00​ CET
Location: Online ​
Title: In the Spotlight: Improving Effective Presentation Skills
Lecturer: Alexandra SZEMERE, -, Department of Philosophy and History of Science, BME
Krisztina ECSEDINé DR. SZABó, Deputy Head of Department, Department of Philosophy and History of Science, BME
Code: PHDLA1052​
Date: 15.05.2024 13:15 - 15:00​ CET
Location: Online ​
Title: Databases, science metrics
Lecturer: Ms Orsolya HEINCZ, head of department, Scientific Services Department, BUTE-NTICL 
Code: PHDLA2012​
Date: 31.05.2024 10:15 - 11:15​ CET
Location: Online ​
Title: Publication, Open Access​
Lecturer: Ms Zsófia BERNáTH, repository development librarian, Scientific Services Department, BUTE-NTICL
Code: PHDLA2013​
Date: 31.05.2024 11:30 - 12:30​ CET
Location: Online ​
EFMC Best Practice in Medicinal Chemistry
Title: RELEASE OF THE BEST PRACTICES FROM HITS TO LEAD GENERATION SET​​
Course contents
  • How do we select the most promising chemical matter from all hit series? 
  • How do we start optimizing a scaffold? 
  • How do we make sure the optimization is progressing as it should? 
  • When do we know when to stop working on a chemical series? 
Date: Anytime
Venue: online
CCPBioSim Industry Talk - Schrodinger
Title: Structure-based target enablement with IFD-MD and FEP+
Lecturer: Márton Vass, Schrödinger​
Date: 17 April, 2024, 14:00 - 15:30 (CET)
Venue: online
AlphaFold training course​
Course contents
  • An introductory guide to AlphaFold’s strengths and limitations
    • What are proteins and how do we know their structures?
    • What is the protein folding problem?
    • What is AlphaFold?
    • Strengths and limitations of AlphaFold2
    • Test your knowledge
  • Validation and impact
    • How have AlphaFold2’s predictions of protein structure been validated?
    • How accurate are AlphaFold2 structure predictions?
    • How is AlphaFold2 used by scientists?
  • Inputs and outputs
    • AlphaFold2: A high-level overview
    • Evaluating AlphaFold2’s predicted structures using confidence scores
    • pLDDT: Understanding local confidence
    • PAE: A measure of global confidence in AlphaFold2 predictions
    • Confidence scores in AlphaFold-Multimer
    • AlphaFold2 inputs and outputs – Recap
    • Other tools to check quality of the predicted structures
  • Accessing and predicting protein structures with AlphaFold2
    • Choosing how to access AlphaFold2
    • Accessing predicted protein structures in the AlphaFold Database
    • What’s the best way to access the database?
    • Predicting protein structures with ColabFold and AlphaFold2 Colab
    • Predicting protein structures using the AlphaFold2 open-source code
    • Other ways to access predicted protein structures
    • How to cite AlphaFold
  • Advanced modelling and applications of predicted protein structures
    • Customising AlphaFold2 structure predictions
    • Outputs from ColabFold
    • Using AlphaFold2 predicted structures to tackle deeper questions
    • Enhancements to AlphaFold2 from the wider scientific community
  • Future directions and summary
    • Current and future developments of AlphaFold2
    • Key takeaways about AlphaFold2
Date:  Anytime
Duration: 3 hours
Venue: online
This training module on AlphaFold2 has been developed in collaboration with Google DeepMind
17th EFMC-YSN MedChemBioOnline​
PROGRAMME:
  • 16:30 | Welcome and Introduction 
  • 16:40 | Rethinking Failure: Lessons Learned from the Lab's Untold Stories
    Prof. Daniel Rauh (TU Dortmund, Germany)
  • 17:00 | Topical JAK Inhibitors for Atopic Dermatitis: From “soft” to “super-soft”
    Dr Gebhard Thoma (Novartis, Switzerland)
  • 17:20 | Sponsor Presentation
    Dr Luc Van Hijfte (Symeres, The Netherlands)
  • 17:30 | Combining Data-driven and Chemoinformatical False Positive Mitigation Strategies in High-throughput Screening
    Dr Michael Margreiter (Evotec, Germany)
  • 17:50 | Round Table Discussion
    • Dr Stéphanie Gueret (AstraZeneca, Sweden)
    • Dr Michael Margreiter (Evotec, Germany)
    • Prof. Daniel Rauh (TU Dortmund, Germany)
    • Dr Gebhard Thoma (Novartis, Switzerland)
    • Dr Luc Van Hijfte (Symeres, The Netherlands)
  • 18:30 | End of the Webinar 
Date:  March 26, 2024, 16:30 - 18:30 (CET)
Venue: online
The event is free and open to everyone thanks to the support of Symeres.
Jülich Supercomputing Center, 2024
"JSC OpenStack training​"
Björn Hagemeier​, JSC
February 20, 2024
09:00 AM - 15:30 PM

Registration deadline 6 February, 2024
"Introduction to Unreal Engine for Science"
Dirk Helmrich, Jonathan Windgassen, JSC
March 1, 8, and 15, 2024
10:00 AM - 15:00 PM CET

Registration deadline 29 February, 2024
"Bringing Deep Learning Workloads to JSC supercomputers"
Dr. Alexandre Strube, Sabrina Narimene Benassou, JSC
March 5-6, 2024
10:00 AM - 14:00 PM CET

Registration deadline 27 February, 2024
"ESM user forum"
Dr. Olaf Stein, Staff members from JSC
March 12-14, 2024
09:00 AM - 12:00 PM CET

Registration deadline 4 March, 2024
CCPBioSim Seminar
Title: Studying Protein Dynamics with an Eye to Molecular Design
Lecturer: Prof. Giorgio Colombo, University of Pavia
Date:  29 February, 2024, 11:00 - 12:00 (GMT)
Venue: online
MedChemCASES webinar
Title: Novel, Potent and Selective 5-HT2c Receptor Agonists for the Treatment of Neurological Disorders
Date: February 15, 2024 5:00-6:00 PM (Berlin Time, CET)
Speaker: Dr. Lynette Nejabet (Abbvie)
Venue: online
2nd EFMC² Tandem Talks
Jointly organized by the EFMC and the EFMC Computational Chemistry Initiative (EFMC²)
PROGRAMME:​
  • BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe
    • Dr Léa BOUCHE, F. Hoffmann-La Roche (formerly Bayer), Switzerland 
    • Dr Judith GÜNTHER, Bayer, Germany
  • Round Table Discussion, moderated by
    • Prof. Andreas BENDER, University of Cambridge, United Kingdom
    • Dr Hayley BINCH, F. Hoffmann-La Roche, Switzerland 
Date: February 15, 2024, 16:00 to 17:00 CET
Venue: online
The event is free and open to everyone thanks to the support of Evolvus.
Biologics by Design Europe 2024
Organizers
  • Elizabeth Rodriguez, UCB Group
  • Norbert Furtmann, Sanofi
  • Steve Maginn, Chemical Computing Group
  • Raul Alvarez, Chemical Computing Group
PROVISIONAL AGENDA - all times CET
January 31 - Virtual Workshops       Morning Session
  • 10:00-11:00          Antibody Modeling and Protein Engineering
    Protein Engineering / Protein Properties / Developability / Hot Spot Analysis / Antibody Modeling / Humanization / Molecular Surfaces
  • 11:00-11:15          Morning Break
  • 11:15-12:15          Biologics: Protein Alignments, Modeling and Docking
    Protein Alignments and Superposition / Loop and Linker Modeling / Homology Modeling / Protein- Protein Docking
January 31 - Scientific Presentations Afternoon Session
  • 13:30-13:35          Opening Remarks
  • 13:35-15:35          Scientific Presentations
  • 15:35-15:45          Afternoon Break
  • 15:45-17:45          Scientific Presentations
  • 17:45-17:50          Closing Remarks
Date:  31 January, 2024
Venue: online
BME Research Soft Skills Training Course
IN THE SPOTLIGHT: IMPROVING EFFECTIVE PRESENTATION SKILLS​
​
Organized by:
BME staff and external experts for PhD students
Lecturers: Szemere ALEXANDRA, assistant lecturer, Department of Philosophy and History of Science, BME
Dr. Szabó KRISZTINA, assistant professor, Deputy Head of Department, Department of Philosophy and History of Science, BME
Date:  16 January, 2024, 15:00 - 17:00 PM
Venue: online 
Janeiro-na-Madeira Winter Summer School 2024
Organizers
  • Massimiliano Gaetani, Karolinska Institutet
  • Roman Zubarev, Karolinska Institutet
  • Muriel Priault, Institute of Cellular Biochemistry and Genetics
Programme
January 9 - Chemical proteomics
January 11 - Biological role of stable isotopes and innovations in mass spectrometry 
January 12 - Deamidation and Isoaspartate 
Date:  8-12 January, 2024
Venue: online
MedChemCASES webinar
Title: Discovery of the Potent and Selective Inhaled Janus Kinase 1 Inhibitor AZD4604 and Its Preclinical Characterization
Date: December 5, 2023 5:00-6:00 PM (Berlin Time, CET)
Speaker: Dr. Magnus Nilsson (AstraZeneca)
CCPBioSim Industry Talk - Hydrogen Bonds in Drug Design
Speaker: Peter Kenny (retired)
Title: Hydrogen Bond Donor-Acceptor Asymmetries in Drug Design

Date:  29 November, 2023, 14:00 to 15:30 (UK time)
Venue: online 
EFMC² Tandem Talks, supported by MedChemBioOnline
Jointly organized by the EFMC and the EFMC Computational Chemistry Initiative (EFMC²)

PROGRAMME:
  • 16:00 | Welcome & Introduction
  • 16:05 | Presentation of the EFMC Computational Chemistry Initiative
  • 16:10 | Real World Use of FEP+ Calculations - Lessons Learned at Boehringer Ingelheim
    • Dr Sandra HANDSCHUH, Boehringer Ingelheim, Germany
    • Dr Theodor THEIS, Boehringer Ingelheim, Germany
  • 16:40 | Round Table Discussion
    • Dr Clara CHRIST, Bayer, Germany
    • Dr Martin MISSBACH, Novartis, Switzerland
    • Dr Sandra HANDSCHUH, Boehringer Ingelheim, Germany
    • Dr Theodor THEIS, Boehringer Ingelheim, Germany
  • 17:00 | End of the Webinar
Date:  28 November, 2023, 16:00 to 17:00 CET
Venue: online
The event is free and open to everyone thanks to the support of Evolvus.
EFMC International Symposium on Chemical Biology
Jointly organized with the Swiss Chemical Society, Division for Medicinal Chemistry & Chemical Biology (DMCCB)

International Organizing Committee
Chairs: Dr Yves P. AUBERSON, Novartis Institutes for Biomedical Research, Basel, Switzerland, Prof. Maja KOEHN, University of Freiburg, Freiburg, Germany
Members: Prof. Yimon AYE, Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland, Prof. Dennis GILLINGHAM, University of Basel, Basel, Switzerland, Prof. Gianluca SBARDELLA, University of Salerno, Fisciano, Italy
International Scientific Committee
Members: Prof. Marko ANDERLUH, University of Ljubljana, Ljubljana, Slovenia, Prof. Gonçalo BERNARDES, University of Cambridge, Cambridge, United Kingdom, Dr Sebastian ESSIG, Bayer AG, Wuppertal, Germany, Dr Anna-Lena GUSTAVSSON, Karolinska Institutet, Solna, Sweden, Prof. Christian HEINIS, Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland, Prof. Zaneta NIKOLOVSKA-COLESKA, University of Michigan, Ann Arbor, United States, Prof. Christian A. OLSEN, University of Copenhagen, Copenhagen, Denmark, Dr Arne RUFER, F. Hoffmann-La Roche Ltd., Basel, Switzerland, Dr Ulrich SCHOPFER, Novartis Institutes for BioMedical Research, Basel, Switzerland, Dr Mario VAN DER STELT, Leiden University, Leiden, The Netherlands, Dr Andrew ZHANG, AstraZeneca, Waltham, United States
Date: 16-18 November 2023
Venue: Basel, Switzerland
Registration: opens in February 2023
EFMC-YSN Publishing Academy Powered by Chemistry Europe

Programme:
DAY 1: Seminars & Interactive Workshop (Full Day)
  • Editorial Blackbox: The publishing process explained; Tips for submitting manuscripts
  • Scientific Writing: Practical tips for writing, covering grammar and writing pitfalls
  • An Ideal Manuscript: Optimizing sections of a peer-reviewed manuscript
  • Optimizing Titles and Abstracts: workshopping actual samples; participants will be asked to edit their titles/abstracts overnight as an assignment. We could also look at some figures
  • Communicating Your Science: Tips for poster and oral presentations
DAY 2: Individual feedback
  • Each participant will have a one-on-one session with an editor who will comment on their manuscript and their edited titles and abstracts.
​
Date:  14 November 2023
  • AM session - 9:30-12nn
  • PM session - 15:00-18:00
Venue: online
2023 MGMS Lecture Tour & AGM
Programme:
3:00-3:30 pm BST: “Enabling science through recycling data”, Albert J. Kooistra, Assistant Professor, University of Copenhagen
3:30-4:00 pm BST: “Computational exploration of organic reactions”, Kristaps Ermanis, Assistant Professor, University of Nottingham
4:00-5:00 pm BST: “Designing precision medicines with patient-first AI”, Andrew Hopkins, CEO of Exscientia
5:00 pm BST: MGMS Annual General Meeting (AGM) (Please follow links for the AGM Agenda and Minutes from the MGMS AGM 2022, MGMS Chair Report, MGMS Secretary Report, MGMS Membership Secretary Report, MGMS Treasurer Report)
​
Date:  29 September 2023
Venue: online
16th EFMC-YSN MedChemBioOnline
Best Practices in hit-to-lead Optimization

Organized by:
European Federation for Medicinal Chemistry and Chemical Biology (EFMC)
EFMC - Young Scientists Network
Sponsored by:
Symeres
Date:  26 September 2023
Venue: online
EFMC-YMCS 2023
10th EFMC Young Medicinal Chemists' Symposium | Anniversary Edition

Organizing Committee:
Chair: Dr Maja BEUS, Institute for Medical Research, Zagreb, Croatia
Members: Dr David ALKER, David Alker Associates, Birchington, United Kingdom, Ms Floriane ESHAK, University Paris Cité, paris, France, Mr Brieuc MATAGNE, LD Organisation, Louvain-la-Neuve, Belgium, Dr Hrvoje RIMAC, University of Zagreb, Zagreb, Croatia, Dr Isabella ROMEO, Università degli Studi "Magna Graecia", Catanzaro, Italy
Date:  7-8 September 2023
Venue: Zagreb, Croatia 
Registration: opens in February 2023
European School of Medicinal Chemistry ESMEC
42nd Advanced Course of Medicinal Chemistry and Seminar for PhD students

Scientific Committee: Marco Macchia, University of Pisa (Director), Andrea Cavalli, University of Bologna, Stephanie Federico, University of Trieste, Antimo Gioiello, University of Perugia, Paolo Grieco, University of Naples, Gianluca Papeo, Nerviano Medical Sciences S.r.l., Tracey Pirali, University of Piemonte Orientale, Antoni Torrens Jover, Welab, Barcelona, Gilberto Spadoni, University of Urbino Carlo Bo
Organizing Committee: Annalida Bedini, Lucia Bedini (Treasurer), Andrea Duranti, Simone Lucarini, Michele Mari, Francesca Bartoccini
Date:  2– 6 July 2023
Venue: Urbino, Palazzo Battiferri, Via Saffi, 42
MedChemCASES webinar
Title: Industrialized chemoproteomics enables the discovery of allosteric modulators of Janus Kinase 1 and Cereblon targeting novel sites
Date: April 26, 2023 5:00-6:00 PM (Berlin Time, CET)
Speaker: Dr. Benjamin Horning (Vividion Therapeutics Inc.) ​
17th EFMC Short Course on Medicinal Chemistry
Small Molecule Protein Degraders: A New Opportunity for Drug Design and Development

Course Organizers: Alessio CIULLI (University of Dundee, United Kingdom)
Suzanne O'CONNOR (University of Dundee, United Kingdom)
Local Organizers: Laura HEITMAN (University of Leiden, The Netherlands)
Date:  23-26 April 2023
Venue: Oegstgeest (near Leiden), The Netherlands
Statistical Mechanics and Thermodynamics Group Webinar from the Royal Society of Chemistry 
Title: How well can we model protein dynamics using Markov jump processes? 
Date: April 19, 2023 4:00-5:30 PM (UK Time)
Speaker: Dr Antonia Mey (University of Edinburgh) 
CCPBioSim Industry Talk: SilcsBio LLC
Title: Introduction to Site Identification by Ligand Competitive Saturation (SILCS) and its Application in Drug Discovery and Development
Date: April 19, 2023 3:00-4:30 PM (UK Time)
Speaker: Alexander D. MacKerell, Jr. - Department of Pharmaceutical Sciences, School of Pharmacy University of Maryland USA and SilcsBio LLC
Registration free until 18 April 2023.

CECAM Mixed-Gen Series
Session: Data science in biophysics for applications to drug discovery
Date: March 23, 2023 3:00-7:00 PM CET
Organisers: Sara Bonella (CECAM HQ), Andrea Cavalli (CECAM HQ), Ignacio Pagonabarraga (University of Barcelona)
14th EFMC-YSN MedChemBioOnline
Successful Stories of Women in Science:
Inspiring Career Paths
​
Chair:
Dr Chiara BORSARI (University of Milan, Italy)
Moderator:
Dr Caroline LANTHIER (University of Antwerp, Belgium)
Date:  28 February 2023, 16:30-18:30 CET
Venue: Online
#MedChemCASES webinar
Title: Inhibiting KRAS:  Strategies, Structures, and Lessons Learned in the Invention of Sotorasib
Organizers: MedChem Division of the GDCh and the NextGenMedChem group
Speaker: Dr. Brian Lanman (Amgen)
Date:  15 February 2023, 17:00-18:00 (CET)
Venue: Online
Biologics by Design
Organizers: Simone Fulle (Novo Nordisk), Oliver Durrant (UCB Group), Steve Maginn (Chemical Computing Group), Raul Alvarez (Chemical Computing Group)
Date:  02 February 2023, 10:00-18:00 (CET)
Venue: Online
Registration: Free until 31 January 2023
#MedChemCASES webinar
Title: Discovery and structure activity relationships of BAY 2666605: PDE3A-SLFN12 complex inducer for cancer therapy
Organizers: Seminar by the Division of Medicinal Chemistry of the German Chemical Society (GDCH)
Speaker: Dr Stefan Gradl (Bayer, Germany)
Date:  24 January 2023, 17:00-18:00 (CET)
Venue: Online
Advanced Parallel Programming with MPI and OpenMP (training course, online)
Instructor:  Dr. Rolf Rabenseifner, HLRS Stuttgart
Time:  28-30 November 2022, 08:45-18:00
Venue: Online
Registration: until 31 October 2022
EU - Webinar: IP in EU funded projects with a special focus on MSCA
Host: European IP Helpdesk
Speaker: Lèa Montesse, European IP Helpdesk Helpline
Date: Wednesday 16 November 2022, 10:30-12:00 CET

The webinar will provide an overview of key aspects in the field of intellectual property management in Marie Skłodowska-Curie Actions, like peculiarities of MSCA grant and Consortium Agreements or relevant issues in writing MSCA Proposals. This webinar aims at providing a general overview about the specific features of IP issues within MSCA projects.

This training session provides an overview of:
  • Relevant IP issues for MSCA proposals 
  • Particularities of MSCA grant agreements
  • Ownership of background and results
  • Questions from MSCA participants received at the EIPRHD
  • MSCA success stories 
Software Development in Science (training course, online)
Instructors: Guido Trensch, Wouter Klijn, JSC
Time:  15-17 November 2022, 09:00-14:00
Venue: Online
Registration: until 1 November 2022
Directive-based GPU programming with OpenACC (PRACE training course, online)
Instructors: Dr. Andreas Herten, Thorsten Hater, Dr. Kaveh Haghighi-Mood, JSC;
Jiri Kraus, Markus Hrywniak, NVIDIA
Time:  26-28 October 2022, 09:00-13:00
Venue: Online
Registration: until 9 October 2022
Molecular Graphics and Modelling Society
"In situ dynamics reveal unseen vulnerabilities of viral glycoproteins"
Dr. Rommie Amaro
Department  of Chemistry and Biochemistry, University of California, San Diego

Date: 21 October 2022, 4:00 pm BST
Location: Online (via Zoom)
Research soft skills training courses (lectures)
Research soft skills training courses (lectures) are provided by BME staff and external experts for PhD students. 
  
The aim of the courses is to increase the efficiency of research and communication skills. 
The courses announced for this semester are available here.

Participation in the course is free of charge but pre-registration is required due to the headcount limit. 

Date: Multiple Dates
Location: Online
Digital Science for Drug Discovery 
A Berlin Seminar Series @ DigiDrug.NET
De Novo Design 2.0: Challenges and Opportunities
Nadine Schneider, Novartis
https://www.linkedin.com/in/nadine-schneider-a9930511

Simulation and Machine Learning as Complementary Tools for Drug Design
Matteo Aldeghi, Google Research
https://www.matteoaldeghi.com/

Date: 19 October 2022, 4:00-5:30 pm
Location: Online
2022 Virtual Workshop on Free Energy Methods in Drug Design
Event Date/s: 21-22 September 2022
Location: Online

Organizers
  • Kira Armacost, GlaxoSmithKline Pharmaceuticals
  • Hannah Bruce Macdonald, Memorial-Sloan Kettering Cancer Center
  • Jonah Vilseck, Indiana University School of Medicine
  • Zoe Cournia, Biomedical Research Foundation Academy of Athens
  • Michael Gilson, UC San Diego
  • Camilo Velez-Vega, Novartis Institutes for BioMedical Research
  • Sereina Riniker, ETH Zürich
  • Anthony Arvanites, Eli Lilly and BAGIM 
Mini Symposium
Computational methods in drug and materials design
The 2nd BRFAA Mini Symposium was held on June 20, 2022. ALLODD ESRs watched talks about “Computational methods in drug and materials design”.
Speakers:
  • Prof. Erik Lindahl, Professor of Biophysics at the Department of Biochemistry & Biophysics, Science for Life Laboratory, Stockholm University
  • Dr. George Boulougouris, Lecturer, Department of Molecular Biology and Genetics
  • Prof. Thomas Cheatham, III, School of Pharmacy, University of Utah
  • Prof. Thomas Mavromoustakos, Professor of Organic Chemistry, National and Kapodistrian University of Athens
  • Dr. Alexios Chatzigoulas, Postdoctoral Associate, Biomedical Research Foundation, Academy of Athens
  • Dr. Demeter Tzeli, Associate Professor of Physical Chemistry, Department of Chemistry, National and Kapodistrian University of Athens
Event Date/s: Monday 20 June 2022, 3pm-7pm CET
Location: Online
CCPBioSim Industry Talk by Merck
Event Date/s: Thursday 7 July 2022, 2pm (UK time)
Title: Championing the adoption of predictive sciences into the pharmaceutical discovery, process, and development space
Location: Online
Speaker: Ed Sherer, Merck
Registration: free
CCPBioSim Industry Talk by Astex
Event Date/s: Thursday 30 June 2022, 14:00 - 15:30
Title: Do proteins ever strain drug-like ligands?
Location: Online
Speaker: John Liebeschuetz, Astex
Registration: free, deadline 28 June 2022
Being #CompChemURG: Forging New Pathways
Held virtually with support from the Molecular Graphics and Modelling Society (MGMS).
Date and Time: June 24, 2022, 03:00 PM CET

Confirmed speakers:
Caroline Lynn Kamerlin, Uppsala University
Anita Nivedha, Molecular Forecaster
Chris Swain, Cambridge MedChem Consulting
Andrew Leach, Uni. Manchester
Idil Ismail, Uni. Warwick
Colin Edge, Cresset
Scott Midgely, Cresset
12th EFMC-YSN MedChemBioOnline
Title: Covalent Chemical Probes and Drugs ​
Date: June 21 (17:00 to 19:15 CEST)
PROGRAMME:
  • What Makes Drug Discovery Teams Successful?
    Dr Mark Murcko (Dewpoint Therapeutics, United States)
  • Presentation by WuXi AppTec
    Dr Andreas Schoop (WuXi AppTec, Germany)
  • Covalent Inhibitors Targeting the Protein Kinases’ Cysteinome
    Dr Matthias Gehringer (University of Tübingen, Germany)
  • Round Table Discussion: "Designing Irreversible Inhibitors: Advantages and Challenges"
    Dr Simona Cotesta (Novartis, Switzerland)
    Dr Matthias Gehringer (University of Tübingen, Germany)
    Prof. Nir London (Weizmann Institute of Science, Israel)
    Prof. Rui Moreira (University of Lisbon, Portugal)
Jülich Supercomputing Center
"High-performance scientific computing in C++"
Dr. Sandipan Mohanty, JSC
June 7-10, 2022
09:00 AM - 04:30 PM CET

Abstract: https://go.fzj.de/2022-hpc-cplusplus
"High-performance computing with Python"
Dr. Jan Meinke, Dr. Olav Zimmermann, JSC
June 20-24, 2022
09:00 AM - 01:00 PM

Abstract: https://go.fzj.de/2022-hpc-python
"Introduction to parallel programming with MPI and OpenMP"
Benedikt Steinbusch, Thomas Breuer, JSC
August 8-12, 2022
09:00 AM - 04:30 PM CET

Abstract: https://go.fzj.de/2022-mpi-intro-2
Berlin Digital Science for Drug Discovery Meeting
"Everything You Wanted to Know About Alchemical Free Energy Calculations But Were Afraid to Ask"
Antonia Mey, University of Edinburgh

"Applications and Impact of Binding Free Energy Calculations in Drug Discovery"
Christina Schindler, Merck Healthcare KGaA

May 5, 2022
04:00-05:00 PM CET
Check out previously recorded sessions of the Berlin Digital Science for Drug Discovery seminar here.
Rapid Discovery of Potent Inhibitors of the Main Protease of SARS-CoV2
Prof. William Jorgensen
Yale University

May 4, 2022
15:05 -15:35 CET

Fragment-based Drug Discovery Seminar

University of Vienna
​
Mon 25.04.2022 14:00-15:30 CET 
Tue 26.04.2022 14:00-15:30 CET 
Wed 27.04.2022 14:00-15:30 CET 
Thu 28.04.2022 14:00-15:30 CET 
Fri 29.04.2022 14:00-15:30 CET

Budapest University of Technology and Economics lecture

Budapest University of Technology and Economics
​
Open up your research! Implementing open science practices in research design 
Lecturer: Borbála Schenk PhD 
Code: PHDLA2032 
18.03.2022
How to launch a start-up from an idea 
Lecturer: Zsolt Gémesi 
Code: PHDLA2072 
21.03.2022​
To patent or to publish? That is not the question. 
Lecturer: Adrienn Timár PhD 
Code: PHDLA1142 
25-03.2022​
​In the Spotlight: Improving Effective Presentation Skills 
Lecturer: Krisztina Szabó PhD 
Code: PHDLA1052 
01.04.2022

Pharma and Food Lecture Series 2022

University of Vienna
Online, Thursdays at 17.15 h

Prof. Dr. Xavier Barril, University of Barcelona, SpainRobustness of protein-ligand complexes: Applications in structure-based virtual screening
Hosts: Christoph Rademacher
03.03.22
​
Prof. Dr. Laura Solt, Scripps Institute, Florida, USALigand-dependent regulation of nuclear receptors in inflammation
Hosts: Patrik Schwarz, Alexander Perhal, Verena Dirsch
24.03.22
​
Dr. Christoph Bauer, AstraZeneca, SwedenChemical modelling in the pharmaceutical industry
Host: Johannes Kirchmair
31.03.22
Prof. Dr. Francesca Grisoni, Eindhoven University of Technology, NetherlandsMachine learning approaches for early drug discovery
Host: Johannes Kirchmair
07.04.22
This project has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No 956314.
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