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Biological and Medicinal Chemistry

(2)

Theoretical and Computational Chemistry

(3)

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Working Paper

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Over 3 years

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Keywords

Protein-Ligand Binding Affinity

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3 results in Keywords: Protein-Ligand Binding Affinity

Theoretical and Computational Chemistry

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

2,787

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12

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Biological and Medicinal Chemistry

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

3,697

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Theoretical and Computational Chemistry

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

663

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