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Biological and Medicinal Chemistry

(2)

Theoretical and Computational Chemistry

(2)

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Working Paper

(3)

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Rocco Meli

3 results in Authors: Rocco Meli

Theoretical and Computational Chemistry

entos: A Quantum Molecular Simulation Package

Frederick Manby, Thomas Miller, Peter Bygrave, Feizhi Ding, Thomas Dresselhaus, Fidel Batista-Romero, Alexander Buccheri, Callum Bungey, Sebastian Lee, Rocco Meli, Kaito Miyamoto, Casper Steinmann, Takashi Tsuchiya, Matthew Welborn, Timothy Wiles, Zack Williams

Version 2 posted 26 February 2019

2,262

Downloads

13

Citations

Theoretical and Computational Chemistry

GNINA 1.0: Molecular Docking with Deep Learning

Andrew McNutt, Paul Francoeur, Rishal Aggarwal, Tomohide Masuda, Rocco Meli, Matthew Ragoza, Jocelyn Sunseri, David Koes

Version 1 posted 18 January 2021

3,017

Downloads

Biological and Medicinal Chemistry

Learning Protein-Ligand Binding Affinity with Atomic Environment Vectors

Rocco Meli, Andrew Anighoro, Mike Bodkin, Garrett Morris, Philip Biggin

Version 1 posted 22 December 2020

856

Downloads

2

Citations