Reranking Docking Poses Using Molecular Simulations and Approximate Free Energy Methods-Reference-Cited by-同舟云学术

Reranking Docking Poses Using Molecular Simulations and Approximate Free Energy Methods

Published:2014-07-31 Issue:8 Volume:54 Page:2185-2189
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Lauro G.¹,Ferruz N.²,Fulle S.³,Harvey M. J.⁴,Finn P. W.⁵³,De Fabritiis G.²

Affiliation:

1. Dipartimento di Farmacia, Università degli Studi di Salerno, Via Giovanni Paolo II 132, 84084 Fisciano (SA), Italy

2. Computational Biophysics Laboratory (GRIB-IMIM), Universitat Pompeu Fabra, Barcelona Biomedical Research Park (PRBB), C/Doctor Aiguader 88, 08003 Barcelona, Spain

3. InhibOx Limited, Oxford Centre for Innovation, New Road, Oxford OX1 1BY, United Kingdom

4. Acellera, Barcelona Biomedical Research Park (PRBB), C/Doctor Aiguader 88, 08003 Barcelona, Spain

5. Department of Applied Computing, University of Buckingham, Hunter Street, Buckingham MK18 1EG, United Kingdom

Funder

European Commission

Ag?ncia de Gesti? d?Ajuts Universitaris i de Recerca

Ministerio de Econom?a y Competitividad

Ministero dell'Istruzione, dell'Universit? e della Ricerca

Universit? degli Studi di Salerno

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/ci500309a

Reference31 articles.

1. CHEMOINFORMATICS AND BEYOND

2. Molecular Recognition and Docking Algorithms

3. Ensemble docking of multiple protein structures: Considering protein structural variations in molecular docking

4. Consensus Scoring: A Method for Obtaining Improved Hit Rates from Docking Databases of Three-Dimensional Structures into Proteins

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