Entropic and Enthalpic Contributions to Stereospecific Ligand Binding from Enhanced Sampling Methods-Reference-Cited by-同舟云学术

Entropic and Enthalpic Contributions to Stereospecific Ligand Binding from Enhanced Sampling Methods

Published:2014-01-09 Issue:1 Volume:54 Page:151-158
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Lai Balder¹,Nagy Gabor¹,Garate Jose Antonio¹²,Oostenbrink Chris¹

Affiliation:

1. Department of Material Sciences and Process Engineering, Institute of Molecular Modeling and Simulation at BOKU—University of Natural Resources and Life Sciences, Muthgasse 18, A-1190 Vienna, Austria

2. Computational Biology Lab, Fundación Ciencia & Vida, Santiago, Chile, Avenida Zañartu 1482 Ñuñoa, Santiago, Chile

Funder

European Research Council

Vienna Science and Technology Fund

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/ci4006657

Reference58 articles.

1. DrugBank: a comprehensive resource for in silico drug discovery and exploration

2. DrugBank: a knowledgebase for drugs, drug actions and drug targets

3. DrugBank 3.0: a comprehensive resource for 'Omics' research on drugs

4. Clinical Pharmacokinetics of Propranolol

5. Genetic Polymorphism of Metabolic Enzymes P450 (CYP) as a Susceptibility Factor for Drug Response, Toxicity, and Cancer Risk

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