Protein-ligand binding enthalpies from near-millisecond simulations: Analysis of a preorganization paradox-Reference-Cited by-同舟云学术

Protein-ligand binding enthalpies from near-millisecond simulations: Analysis of a preorganization paradox

Published:2018-08-21 Issue:7 Volume:149 Page:072311
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Li Amanda¹^ORCID,Gilson Michael K.²^ORCID

Affiliation:

1. Department of Bioengineering, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093-0419, USA

2. Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093-0736, USA

Funder

National Institute of General Medical Sciences

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5027439

Reference56 articles.

1. A Thermodynamic Approach to the Affinity Optimization of Drug Candidates

2. Isothermal titration calorimetry: application to structure-based drug design

3. Integration of methods in cheminformatics and biocalorimetry for the design of trypanosomatid enzyme inhibitors

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