Mixed Quantum Mechanics/Molecular Mechanics Scoring Function To Predict Protein−Ligand Binding Affinity-Reference-Cited by-同舟云学术

Mixed Quantum Mechanics/Molecular Mechanics Scoring Function To Predict Protein−Ligand Binding Affinity

Published:2010-09-07 Issue:10 Volume:6 Page:3079-3091
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Hayik Seth A.¹,Dunbrack Roland¹,Merz Kenneth M.¹

Affiliation:

1. Institute for Cancer Research, Fox Chase Cancer Center, 333 Cottman Avenue, Philadelphia, Pennsylvania 19111, and Department of Chemistry, Quantum Theory Project, University of Florida, P.O. Box 118435, Gainesville, Florida 32611

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct100315g

Reference66 articles.

1. Structure-based virtual screening: an overview

2. The Many Roles of Computation in Drug Discovery

3. Consensus scoring for ligand/protein interactions

4. Comparative Evaluation of 11 Scoring Functions for Molecular Docking

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