NNScore 2.0: A Neural-Network Receptor–Ligand Scoring Function-Reference-Cited by-同舟云学术

NNScore 2.0: A Neural-Network Receptor–Ligand Scoring Function

Published:2011-11-03 Issue:11 Volume:51 Page:2897-2903
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Durrant Jacob D.,McCammon J. Andrew¹²

Affiliation:

1. Department of Chemistry and Biochemistry, NSF Center for Theoretical Biological Physics, National Biomedical Computation Resource, University of California San Diego, La Jolla, California 92093, United States

2. Howard Hughes Medical Institute, University of California San Diego, La Jolla, CA

Funder

Center for Theoretical Biological Physics University of California San Diego

Howard Hughes Medical Institute

National Institutes of Health

National Science Foundation

W.M. Keck Foundation

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/ci2003889

Reference20 articles.

1. A review of high throughput technology for the screening of natural products

2. Molecular Dynamics: Survey of Methods for Simulating the Activity of Proteins

3. Computational Study of the Mechanism and the Relative Free Energies of Binding of Anticholesteremic Inhibitors to Squalene-Hopene Cyclase

4. FEP-Guided Selection of Bicyclic Heterocycles in Lead Optimization for Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase

5. Molecular dynamics simulations and drug discovery

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