Mathematical and Structural Characterization of Strong Nonadditive Structure–Activity Relationship Caused by Protein Conformational Changes-Reference-Cited by-同舟云学术

Mathematical and Structural Characterization of Strong Nonadditive Structure–Activity Relationship Caused by Protein Conformational Changes

Published:2018-08-02 Issue:17 Volume:61 Page:7754-7766
ISSN:0022-2623
Container-title:Journal of Medicinal Chemistry
language:en
Short-container-title:J. Med. Chem.

Author:

Gomez Laurent¹^ORCID,Xu Rui¹,Sinko William¹,Selfridge Brandon¹,Vernier William¹,Ly Kiev¹,Truong Richard¹,Metz Markus¹,Marrone Tami¹,Sebring Kristen¹,Yan Yingzhou¹,Appleton Brent¹,Aertgeerts Kathleen¹,Massari Mark Eben¹,Breitenbucher J. Guy¹

Affiliation:

1. Dart Neuroscience LLC, 12278 Scripps Summit Drive, San Diego, California 92131, United States

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jmedchem.8b00713

Reference26 articles.

1. A Mathematical Contribution to Structure-Activity Studies

2. Interrelation of the regression models used for structure-activity analyses

3. On the attribution and additivity of binding energies

4. Assessment of Additive/Nonadditive Effects in Structure−Activity Relationships: Implications for Iterative Drug Design

5. Accurate and Reliable Prediction of Relative Ligand Binding Potency in Prospective Drug Discovery by Way of a Modern Free-Energy Calculation Protocol and Force Field

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