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Chemistry

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ChemRxiv

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Protein-ligand binding affinity

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3 results in Keywords: Protein-ligand binding affinity

Automated, Accurate, and Scalable Relative Protein-Ligand Binding Free Energy Calculations using Lambda Dynamics

E. Prabhu Raman, Thomas J. Paul, Ryan L. Hayes, Charles L. Brooks III

Version 1 posted 10 August 2020

526

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by ChemRxiv

DLSCORE: A Deep Learning Model for Predicting Protein-Ligand Binding Affinities

Mahmudulla Hassan, Daniel Castaneda Mogollon, Olac Fuentes, suman sirimulla

Version 1 posted 20 April 2018

2,530

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8

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by ChemRxiv

3D Convolutional Neural Networks and a CrossDocked Dataset for Structure-Based Drug Design

Paul Francoeur, Tomohide Masuda, David R. Koes

Version 2 posted 04 March 2020

2,745

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by ChemRxiv