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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Scott Bembenek

3 results in Authors: Scott Bembenek

Theoretical and Computational Chemistry

Drug Repurposing and New Therapeutic Strategies for SARS-CoV-2 Disease Using a Novel Molecular Modeling-AI Hybrid Workflow

Version 2 posted 16 June 2020

998

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Theoretical and Computational Chemistry

D3R Grand Challenge 4: Blind Prediction of Protein-Ligand Poses, Affinity Rankings, and Relative Binding Free Energies

conor parks, Zied Gaieb, Michael Chiu, Huanwang Yang, Chenghua Shao, W. Patrick Walters, Johanna M. Jansen, Georgia McGaughey, Richard A. Lewis, Scott D. Bembenek, Michael K. Ameriks, Tara Mirzadegan, Stephen K. Burley, Rommie Amaro, Michael Gilson

Version 1 posted 19 December 2019

1,103

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Biological and Medicinal Chemistry

D3R Grand Challenge 3: Blind Prediction of Protein-Ligand Poses and Affinity Rankings

Zied Gaieb, Conor Parks, Michael Chiu, Huanwang Yang, Chenghua Shao, Patrick Walters, Millard Lambert, Neysa Nevins, Scott D. Bembenek, Stephen K. Burley, Rommie E. Amaro, Michael K. Gilson

Version 1 posted 06 July 2018

720

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1

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