Computational Graphics Software for Interactive Docking and Visualization of Ligand–Protein Complementarity-Reference-Cited by-同舟云学术

Computational Graphics Software for Interactive Docking and Visualization of Ligand–Protein Complementarity

Published:2021-03-03 Issue:3 Volume:61 Page:1427-1443
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Baskaran Saravana G.¹,Sharp Thayne P.²,Sharp Kim A.³^ORCID

Affiliation:

1. Platelet Biogenesis, 65 Grove Street, Suite 303, Watertown, Massachusetts 02472, United States

2. Harriton High School, 600 North Ithan Avenue, Bryn Mawr, Pennsylvania 19010, United States

3. Department of Biochemistry and Biophysics, Perelman School of Medicine at the University of Pennsylvania, 3620 Hamilton Walk, Philadelphia, Pennsylvania 19104-6073, United States

Funder

National Institute of General Medical Sciences

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.0c01485

Reference53 articles.

1. Use of MM-PBSA in Reproducing the Binding Free Energies to HIV-1 RT of TIBO Derivatives and Predicting the Binding Mode to HIV-1 RT of Efavirenz by Docking and MM-PBSA

2. Binding Affinities for Sulfonamide Inhibitors with Human Thrombin Using Monte Carlo Simulations with a Linear Response Method

3. The Solvated Interaction Energy Method for Scoring Binding Affinities

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