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YT 23 minutes 46 seconds 249 views Shared 8 months ago Chodera lab Tom Potter Improving the efficiency of FEP calculations using truncated protein models YT 22 minutes 42 seconds 178 views Shared 8 months ago Chodera lab Andrea Rizzi Towards QM:MM binding free energy estimates with learned configurational mappings YT 20 minutes 13 seconds 65 views Shared 8 months ago Chodera lab Anita de Ruiter Multi site AEDS

YT 23 minutes 37 seconds 81 views Shared 8 months ago Chodera lab Antonia Mey From Active Learning to Zinc adventures with alchemical free energy calculations YT 20 minutes 31 seconds 106 views Shared 8 months ago Chodera lab Benjamin Ries Open Free Energy Tools for planning FE Calculations & Applications in Pharma YT 23 minutes 30 seconds 84 views Shared 8 months ago Chodera lab Chris Oostenbrink Free energies and enhanced sampling from accelerated enveloping distribution sam

YT 24 minutes 29 seconds 84 views Shared 8 months ago Chodera lab Christopher Bayly Bang for your Buck: Trading Off Utility with and Time and Money for Non Equilibr YT 26 minutes 40 seconds 33 views Shared 8 months ago Chodera lab Fernanda Duarte Transfer Learning for Heterocycle Synthesis Prediction YT 22 minutes 4 seconds 124 views Shared 8 months ago Chodera lab Hannah Baumann Open Free Energy Open Source Alchemy

YT 23 minutes 8 seconds 118 views Shared 8 months ago Chodera lab Ken Takaba Machine learned molecular mechanics force fields from large scale quantum chemical data YT 24 minutes 9 seconds 114 views Shared 8 months ago Chodera lab Lily Wang OpenFF updates on recent progress and implications for free energy simulations YT 19 minutes 33 seconds 64 views Shared 8 months ago Chodera lab Lucien Koenekoop QresFEP v2 0 hybrid topology in silico mutagenesis

YT 53 minutes 23 seconds 484 views Shared 8 months ago Chodera lab Max Welling Free Energy Is All You Need Keynote YT 29 minutes 46 seconds 123 views Shared 8 months ago Chodera lab Peter Coveney Accelerating Drug Discovery with Hybrid AI and Physics Based Simulations on Exascale YT 20 minutes 22 seconds 48 views Shared 8 months ago Chodera lab Simon Webb VM2 VeraChem’s Mining Minima Free Energy Software for Protein Ligand Affinity Predicti

YT 23 minutes 35 seconds 83 views Shared 8 months ago Chodera lab Stefan Boresch Reducing free energy simulations to the bare essentials the “transformato” package YT 30 minutes 5 seconds 76 views Shared 8 months ago Chodera lab Wenbo Yu Study ligand dissociation kinetics using the SILCS method YT 26 minutes 17 seconds 300 views Shared 1 year ago Chodera lab Darrin York - Enhancing Precision and Accuracy in Alchemical Free Energy Simulations

YT 27 minutes 36 seconds 269 views Shared 1 year ago Chodera lab David Hahn - Impacting drug discovery with open source free energy calculation tools YT 31 minutes 18 seconds 130 views Shared 1 year ago Chodera lab Julien Michel - Engineering FEP science in the open YT 24 minutes 36 seconds 82 views Shared 1 year ago Chodera lab Michael Schnieders - An Alchemical Pipeline for Polymorph Discovery and Optimization

YT 30 minutes 24 seconds 208 views Shared 1 year ago Chodera lab Jay Ponder - Accuracy of the AMOEBA Force Field in Binding Free Energy Simulations YT 23 minutes 25 seconds 176 views Shared 1 year ago Chodera lab David Minh - Binding pose prediction using absolute binding free energy calculations YT 26 minutes 52 seconds 206 views Shared 1 year ago Chodera lab Xin (Cindy) Yan - Promises and Limitations: Free Energy Methods in Drug Discovery Projects

YT 35 minutes 9 seconds 921 views Shared 1 year ago Chodera lab Derek Lowe - FEP and Drug Discovery: Where We've Been and Where We'd Like to Go YT 27 minutes 56 seconds 113 views Shared 1 year ago Chodera lab Hugo Gutierrez de Teran - QFEP: combining ligand SAR and in silico mutagenesis for ligand design YT 33 minutes 4 seconds 165 views Shared 1 year ago Chodera lab Ana Silveira - On the use of high-throughput BFE simulations in design cycles for drug discovery

YT 24 minutes 17 seconds 146 views Shared 1 year ago Chodera lab Gianni De Fabritiis - Relative binding affinity calculations towards accuracy and scalability YT 30 minutes 13 seconds 332 views Shared 1 year ago Chodera lab Michael Shirts - Free energies: What we’ve learned about how to estimate them YT 36 minutes 33 seconds 225 views Shared 1 year ago Chodera lab William Jorgensen - Free Energy Calculations from Butane to COVID-19

YT 16 minutes 26 seconds 107 views Shared 2 years ago Chodera lab Michael Gillhofer YT 20 minutes 41 seconds 146 views Shared 2 years ago Chodera lab Jenke Scheen YT 17 minutes 38 seconds 92 views Shared 2 years ago Chodera lab Mary Pitman

YT 24 minutes 19 seconds 383 views Shared 3 years ago Chodera lab Christopher Bayly, OpenEye YT 21 minutes 23 seconds 212 views Shared 3 years ago Chodera lab Niels Hansen, University of Stuttgart YT 26 minutes 4 seconds 187 views Shared 3 years ago Chodera lab Lyna Luo, Western University of Health Sciences

YT 26 minutes 5 seconds 211 views Shared 3 years ago Chodera lab Matteo Aldeghi, Vector Institute YT 35 minutes 8 seconds 674 views Shared 3 years ago Chodera lab William Jorgensen, Yale University YT 22 minutes 52 seconds 454 views Shared 3 years ago Chodera lab Wonpil Im, Lehigh University

YT 26 minutes 49 seconds 144 views Shared 3 years ago Chodera lab Jonah Vilseck, Indiana University YT 25 minutes 39 seconds 121 views Shared 3 years ago Chodera lab Benjamin Ries, ETH Zurich YT 21 minutes 51 seconds 235 views Shared 3 years ago Chodera lab Cindy Yan, Merck

YT 31 minutes 2 seconds 174 views Shared 3 years ago Chodera lab David Minh, Illinois Institute of Technology YT 22 minutes 41 seconds 166 views Shared 3 years ago Chodera lab Julien Michel, University of Edinburgh YT 26 minutes 23 seconds 339 views Shared 3 years ago Chodera lab Emilio Gallicchio, Brooklyn College CUNY

YT 24 minutes 47 seconds 190 views Shared 3 years ago Chodera lab Hannah Baumann, UC Irvine YT 33 minutes 14 seconds 422 views Shared 4 years ago Chodera lab Hugo Gutierrez de Teran, University of Uppsala, Free Energy Workshop 2020 YT 25 minutes 42 seconds 227 views Shared 4 years ago Chodera lab Chia-en Chang, University California Riverside, Free Energy Workshop 2020

YT 28 minutes 29 seconds 296 views Shared 4 years ago Chodera lab Darrin York, Rutgers University, Free Energy Workshop 2020 YT 22 minutes 48 seconds 245 views Shared 4 years ago Chodera lab Lance Westerhoff, QuantumBio Inc., Free Energy Workshop 2020 YT 30 minutes 9 seconds 1.9K views Shared 4 years ago Chodera lab Lingle Wang, Schrodinger, Free Energy Workshop 2020

YT 24 minutes 37 seconds 277 views Shared 4 years ago Chodera lab Ido Ben-Shalom, University of California, San Diego, Free Energy Workshop 2020 YT 25 minutes 57 seconds 508 views Shared 4 years ago Chodera lab Maximilian Ebert, CCG, Free Energy Workshop 2020 YT 31 minutes 7 seconds 344 views Shared 4 years ago Chodera lab Prabhu Raman, BIOVIA, Free Energy Workshop 2020

YT 26 minutes 57 seconds 283 views Shared 4 years ago Chodera lab Daria Kokh, Heidelberg Institute for Theoretical Studies, Free Energy Workshop 2020 YT 30 minutes 17 seconds 295 views Shared 4 years ago Chodera lab Jay Ponder, Washington University in St. Louis, Free Energy Workshop 2020 YT 21 minutes 24 seconds 437 views Shared 4 years ago Chodera lab Mark Mackey, Cresset, Free Energy Workshop 2020

YT 29 minutes 13 seconds 645 views Shared 4 years ago Chodera lab Aysegul Ozen, Scorpion Therapeutics, Free Energy Workshop 2020 YT 50 minutes 38 seconds 22 views Shared 4 years ago Chodera lab Ido Ben-Shalom, University of California, San Diego, Free Energy Workshop 2020 YT 24 minutes 50 seconds 750 views Shared 4 years ago Chodera lab Alex Dickson, Michigan State University, Free Energy Workshop 2020