Difference between revisions of "2018 Workshop on Free Energy Methods, Kinetics and Markov State Models in Drug Design"
| Line 7: | Line 7: | ||
Tuesday, May 15th - Friday 18th will be held at Novartis.<br> | Tuesday, May 15th - Friday 18th will be held at Novartis.<br> | ||
| − | Twitter hashtag: #drugalchemy; add #discuss if you have a discussion topic suggestion<br> | + | Twitter hashtag: <tt>#drugalchemy</tt>; add <tt>#discuss</tt> if you have a discussion topic suggestion<br> |
| − | Slack: https://alchemistry.slack.com | + | Slack: <tt>[https://alchemistry.slack.com https://alchemistry.slack.com]</tt><br> |
| − | We would like to thank the following sponsors: | + | We would like to thank the following sponsors: <br> |
| + | [[ File:Vertex.png|www.vrtx.com ]] | ||
| − | + | =Introduction= | |
| + | This workshop focuses on free energy techniques—the latest innovations and use cases, force field parameterization as it touches these techniques, and sampling practices, among other things. We as organizers believe that these techniques are even closer than before to making an impact in appropriate drug discovery applications, by allowing physics-based prediction of physical properties such as binding affinity, selectivity, solubility, and membrane permeability. However, a number of challenges still remain. This workshop provides a unique opportunity to assess where we are today and what challenges must be tackled next to bring the potential of free energy techniques to bear on real-world applications. We also seek to identify particular problems in drug discovery where these methods can have an impact. | ||
| + | |||
| + | 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, and so on. 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. | ||
| + | |||
| + | == Organizers == | ||
| + | * John Chodera, Memorial-Sloan Kettering Cancer Center (john.chodera@choderalab.org) | ||
| + | * David Mobley, University of California at Irvine (dmobley@uci.edu) | ||
| + | * Michael Schnieders, The University of Iowa (michael-schnieders@uiowa.edu) | ||
| + | |||
| + | We also recognize previous organizers and current advisors | ||
| + | |||
| + | * Vijay Pande, Stanford University (pande@stanford.edu) | ||
| + | * Michael Shirts, University of Colorado Boulder (michael.shirts@colorado.edu) | ||
| + | * Camilo Velez-Vega, Entasis Therapeutics (camilo.velez@entasistx.com) | ||
Revision as of 12:31, 12 September 2017
The 2018 Workshop on Free Energy Methods, Kinetics and Markov State Models in Drug Design
Dates: May 14th-18th, 2018
Venues:
On Monday evening (May 14th) there will be a reception at Silicon Therapeutics.
Tuesday, May 15th - Friday 18th will be held at Novartis.
Twitter hashtag: #drugalchemy; add #discuss if you have a discussion topic suggestion
Slack: https://alchemistry.slack.com
We would like to thank the following sponsors:
Introduction
This workshop focuses on free energy techniques—the latest innovations and use cases, force field parameterization as it touches these techniques, and sampling practices, among other things. We as organizers believe that these techniques are even closer than before to making an impact in appropriate drug discovery applications, by allowing physics-based prediction of physical properties such as binding affinity, selectivity, solubility, and membrane permeability. However, a number of challenges still remain. This workshop provides a unique opportunity to assess where we are today and what challenges must be tackled next to bring the potential of free energy techniques to bear on real-world applications. We also seek to identify particular problems in drug discovery where these methods can have an impact.
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, and so on. 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.
Organizers
- John Chodera, Memorial-Sloan Kettering Cancer Center (john.chodera@choderalab.org)
- David Mobley, University of California at Irvine (dmobley@uci.edu)
- Michael Schnieders, The University of Iowa (michael-schnieders@uiowa.edu)
We also recognize previous organizers and current advisors
- Vijay Pande, Stanford University (pande@stanford.edu)
- Michael Shirts, University of Colorado Boulder (michael.shirts@colorado.edu)
- Camilo Velez-Vega, Entasis Therapeutics (camilo.velez@entasistx.com)