Christopher I. Bayly - OpenEye Scientific Software

Jesper Sørensen, Caitlin C. Bannan, Gaetano Calabrò, Varsha Jain, Grigory Ovanesyan, Addison Smith,She Zhang,Christopher I. Bayly, Tom A. Darden, Matthew T. Geballe, David N. LeBard, Mark McGann, Joseph B. Moon, Hari S. Muddana, Andrew Shewmaker, Jharrod LaFon, Robert W. Tolbert, A. Geoffrey Skillman,Anthony Nicholls

Computational Drug Discoverypp.579-615, (2024)

Cited0Views0Bibtex

Best Practices for Constructing, Preparing, and Evaluating Protein-Ligand Binding Affinity Benchmarks

David F Hahn,Christopher I Bayly,Hannah E Bruce Macdonald,John D Chodera,Antonia S J S Mey,David L Mobley,Laura Perez Benito,Christina E M Schindler,Gary Tresadern,Gregory L Warren

Living Journal of Computational Molecular Science（2022）

Cited24Views0WOSBibtex

Capturing Non-Local Through-Bond Effects in Molecular Mechanics Force Fields: II. Using Fractional Bond Orders to Fit Torsion Parameters

Chaya D. Stern,Jessica Maat,David L. Dotson,Christopher I. Bayly,Daniel G. A. Smith,David L. Mobley,John D. Chodera

openalex（2022）

Cited2Views0Bibtex

Openforcefield/openff-Toolkit: 0.10.0 Improvements for Force Field Fitting

Jeff Wagner,David L. Mobley, M.S. Thompson,John D. Chodera,Caitlin C. Bannan, A. Rizzi, Trevorgokey,David Dotson,Jaime Rodrı́guez-Guerra, Camila,Pavan Kumar Behara,Christopher I. Bayly, Josh A. Mitchell, JoshHorton,Nathan M. Lim,Victoria T. Lim,Sukanya Sasmal,Lily Wang, Andrew Dalke, SimonBoothroyd,Iván Pulido, Daniel Smith,Lee‐Ping Wang, Yutong Zhao

openalex（2021）

Cited0Views0Bibtex

A LiveCoMS Best Practices Guide Best practices for constructing, preparing, and evaluating protein-ligand binding affinity benchmarks [Article v0.1]

David F. Hahn,Christopher I. Bayly,Hannah E. Bruce Macdonald,D. John, Chodera,Antonia S. J. S. Mey,David L. Mobley,Laura Perez Benito, E. Christina, M. Schindler,Gary Tresadern,Gregory L. Warren

semanticscholar（2021）

Cited0Views0Bibtex

Author Statistics

Co-Author

Co-Institution

D-Core

合作者
学生
导师

No result temporarily, you can search similar Scholar with the same research interest

Data Disclaimer

The page data are from open Internet sources, cooperative publishers and automatic analysis results through AI technology. We do not make any commitments and guarantees for the validity, accuracy, correctness, reliability, completeness and timeliness of the page data. If you have any questions, please contact us by email: report@aminer.cn