2024 Workshop on Free Energy Methods in Drug Design
Introduction
Our goal in this workshop is to bring together experts from pharma and supporting industries, as well as academia, in an intense and focused workshop to identify challenges and help chart the path forward. We are particularly interested in hearing about use cases, pitfalls and their solutions. We also firmly believe we can learn a great deal from failure, so we hope participants will go beyond just highlighting success stories to provide more detailed insight into successes and failures.
Previous iterations of this workshop: https://alchemistry.org/wiki/Events
Dates and Location
The conference is scheduled for 13-15 May 2024, at the Scheltema in Leiden, The Netherlands - Marktsteeg 1, 2312 CS
Directly following Alchemistry 2024, the Open Molecular Software Foundation will host it's annual gathering - OMSF Symposium 2024. This event will bring together OMSF's community of software developers, academics, and industry partners, focusing on its open source molecular software projects and their impact. For more information, please fill out this Expression of Interest - contact Zachary Baker at zachary.baker@omsf.io for any questions.
Registration
Registration for this event has opened, please follow this link to register for the event.
For talk and poster abstract submission there will be several selection rounds of which the first will take place December 11th. Abstracts submitted after this date will be considered in the second round of abstract selection (deadline TBA).
Confirmed speakers & workshop themes
| Speaker | Affiliation |
|---|---|
| Chris Oostenbrink | Boku - Vienna |
| Stefan Boresch | University of Vienna |
| Chris Chipot | University of Lorraine |
| Christina Schindler | Merck KGaA |
| Antonia Mey | University of Edinburgh |
| Fernanda Duarte | Oxford University |
| Bart Lenselink | Galapagos |
| Kira Armacost | GSK |
| Hannah Baumann | OpenFE |
| William Zhiyi Wu | Exscientia |
| Davide Branduardi | Astex Pharma |
| Juan Carlos (JC) Mobarec | AstraZeneca |
| Gregory Ross | Isomorphic Labs |
| Wenbo Yu | University of Maryland |
| Huafeng Xu | AtomMap |
| Lily Wang | OpenFF |
| Benjamin Ries | BI/ OpenFE |
| Laura Perez-Benito | Janssen |
Seminar themes during the workshop:
- Novel methods, algorithms and software in Free Energy calculations
- Free Energy calculations & Machine-learning
- Free Energy calculations in Drug Design
- Free Energy calculations in Biotechnology
Accommodation
You will need to book your own stay in Leiden; there are many hotels in Leiden that will be able to house you. There are many small hotels close to the event venue - here we are listing several of the major hotels that have confirmed vacancies during the week of the workshop and are 10 minutes away on foot:
- Ibis
- VIC
Travel & public transport
Public transport is very well connected in The Netherlands. Although rechargeable public transport cards can be purchased, it is recommended to use your contactless bank card for checking in and out of trains, buses, trams and subways. In principle all Mastercard and Visa cards will work, for more information see the national railway website FAQ
To reach Leiden from Schiphol airport, you can take a train (every 10-15 minutes from Schiphol), or a taxi (~25 min drive).
Social Media
X hashtags: #alchemy2024
Slack: https://alchemistry.slack.com
Join the slack workspace using this link
Sponsors
We are currently looking for sponsorship for the event. If your organisation would be interested, please contact Vytautas Gapsys.
Organizing Committee
- Irfan Alibay - irfan.alibay@omsf.io
- James Eastwood
- Vytautas Gapsys - vytautas.gapsys@mpinat.mpg.de
- Bert de Groot
- Hugo Gutierrez De Teran
- David Hahn
- Willem Jespers
- Dmitry Lupyan - dmitry.lupyan@schrodinger.com
- Jenke Scheen - jenke.scheen@choderalab.org
- Barbara Zarzycka
Conference Code of Conduct
All attendees, speakers, sponsors and volunteers at our conference are required to agree with the following code of conduct. Organisers will enforce this code throughout the event. We expect cooperation from all participants to help ensure a safe environment for everybody.
Need Help? Please contact the organising committee either in person or via email. Members of the organising committee are listed above.
The Quick Version
Our conference is dedicated to providing a harassment-free conference experience for everyone, regardless of gender, gender identity and expression, age, sexual orientation, disability, physical appearance, body size, race, ethnicity, religion (or lack thereof), or technology choices. We do not tolerate harassment of conference participants in any form. Sexual language and imagery is not appropriate for any conference venue, including talks, workshops, parties, Twitter and other online media. Conference participants violating these rules may be sanctioned or expelled from the conference without a refund at the discretion of the conference organisers.
The Less Quick Version
Harassment includes offensive verbal comments related to gender, gender identity and expression, age, sexual orientation, disability, physical appearance, body size, race, ethnicity, religion, technology choices, sexual images in public spaces, deliberate intimidation, stalking, following, harassing photography or recording, sustained disruption of talks or other events, inappropriate physical contact, and unwelcome sexual attention.
Participants asked to stop any harassing behavior are expected to comply immediately.
Sponsors are also subject to the anti-harassment policy. In particular, sponsors should not use sexualised images, activities, or other material. Booth staff (including volunteers) should not use sexualised clothing/uniforms/costumes, or otherwise create a sexualised environment.
If a participant engages in harassing behavior, the conference organisers may take any action they deem appropriate, including warning the offender or expulsion from the conference with no refund.
If you are being harassed, notice that someone else is being harassed, or have any other concerns, please contact a member of the organising committee immediately.
A member of the organising committee will be happy to help participants contact local law enforcement, provide escorts, or otherwise assist those experiencing harassment to feel safe for the duration of the conference. We value your attendance.
We expect participants to follow these rules at conference and workshop venues and conference-related social events.
The code of conduct text was taken from https://github.com/confcodeofconduct/confcodeofconduct.com in a slightly adapted form.