The Surprising Importance of Peptide Bond Contacts in Drug–Protein Interactions-Reference-Cited by-同舟云学术

The Surprising Importance of Peptide Bond Contacts in Drug–Protein Interactions

Published:2017-05-23 Issue:33 Volume:23 Page:7887-7890
ISSN:0947-6539
Container-title:Chemistry – A European Journal
language:en
Short-container-title:Chem. Eur. J.

Author:

Parrish Robert M.¹,Sitkoff Doree F.²,Cheney Daniel L.²,Sherrill C. David¹^ORCID

Affiliation:

1. Center for Computational Molecular Science and Technology School of Chemistry and Biochemistry School of Computational Science and Engineering Georgia Institute of Technology Atlanta GA 30332-0400 USA

2. Molecular Structure and Design Bristol-Myers Squibb Company 311 Pennington-Rocky Hill Road Pennington NJ 08534 USA

Funder

Division of Chemistry

Basic Energy Sciences

Publisher

Wiley

Subject

General Chemistry,Catalysis,Organic Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/chem.201701031

Reference26 articles.

1. Efficient Drug Lead Discovery and Optimization

2. Limits of Free Energy Computation for Protein−Ligand Interactions

3. Calculation of Protein-Ligand Binding Affinities

4. Fully ab initio protein-ligand interaction energies with dispersion corrected density functional theory

5. λ-Dynamics free energy simulation methods

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