A Multilevel Strategy for the Exploration of the Conformational Flexibility of Small Molecules-Reference-Cited by-同舟云学术

A Multilevel Strategy for the Exploration of the Conformational Flexibility of Small Molecules

Published:2012-04-10 Issue:5 Volume:8 Page:1808-1819
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Forti Flavio¹,Cavasotto Claudio N.²,Orozco Modesto³,Barril Xavier¹⁴,Luque F. Javier¹

Affiliation:

1. Departament de Fisicoquímica and Institut de Biomedicina (IBUB), Facultat de Farmàcia, Universitat de Barcelona, Av. Diagonal 643, E-08028, Barcelona, Spain

2. School of Biomedical Informatics, University of Texas Health Science Center at Houston, 7000 Fannin Street Ste. 690, Houston, Texas 77030, United States

3. Joint IRB-BSC Program in Computational Biology, Institute of Research in Biomedicine Barcelona, Barcelona Scientific Park, Josep Samitier 1-6, 08028 barcelona, Spain

4. Institució Catalana de Recerca i Estudis Avançats (ICREA), Barcelona, Spain

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct300097s

Reference62 articles.

1. Approaches to the Description and Prediction of the Binding Affinity of Small-Molecule Ligands to Macromolecular Receptors

2. Protein‐Ligand Interactions

3. A Medicinal Chemist’s Guide to Molecular Interactions

4. Quantifying Intermolecular Interactions: Guidelines for the Molecular Recognition Toolbox

5. Protein Flexibility and Ligand Recognition: Challenges for Molecular Modeling

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