Leaving Community
Are you sure you want to leave this community? Leaving the community will revoke any permissions you have been granted in this community.
Introductions and Overviews
Rommie Amaro, D3R, UCSD
Opening Remarks 
PL-2016 Challenge
David Baker and Barry Stoddard
Crystallographic analyses of engineered ligand binding proteins
Zied Gaieb, D3R
PL-2016 Overview of Results
Dima Kozakov, SUNY Stonybrook
Protein ligand docking using FFT based approach: D3R experience
Grand Challenge 2
Bernd Kuhn, Roche
GC2 Intro to System
Pat Walters, Relay Therapeutics
GC2 Overview of Results
Yuan Hu, Merck & Co., Inc.
MD Simulation in Pose Refinement and Scoring Using AMBER Workflows
Hervé Hogues, Purisima Lab, National Research Council Canada
Wilma/SIE Stage1 prediction results
Matthew Baumgartner, Eli Lily
DrugDesignData Resource (D3R) Grand Challenge 2
Christina Athanasiou, Cournia Lab, Academy of Athens
Free Energy Perturbation calculations to predict relative binding affinities for FXR ligands
Priscila Figueiredo, Rognan Lab, University of Strasbourg
Docking Pose Selection by Interaction Pattern Similarity
Julien Michel, University of Edinburgh
D3RGC2: free energy scoring by alchemical free energy implementation in SOMD
Christina Schindler, Merck KGaA, Darmstadt, Germany
Affinity prediction methods in the pharmaceutical industry
Oleksandr Yakovenko, IFOWONCO
Combing molecular dynamics and machine learning for advanced pose and free-energy prediction
Q&A for PL-2016 and GC2
Stephen Burley
D3R Grand Challenge 2 Structure Refinement Experience/Learnings
Q&A for NIH and D3R
Peter Preusch
NIH Perspective
Mike Gilson, D3R, UCSD
D3R Update
Q&A for NIH and D3R
About
Welcome to the Drug Design Data Resource Community. D3R is funded in part by NIH grant 1U01GM111528 from the National Institute of General Medical Sciences
