Rui Pedro Neves

Dr. Rui Pedro Neves

orcid

Research Focus & Metrics

Academic Career Length

14Years (2013-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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1 April 2013 in Current Medicinal Chemistry
Verified
Journal Article
Closed access
Sergio F. SousaSergio F. Sousa
Sergio F. Sousa
ARAntonio J M Ribeiro
Antonio J M Ribeiro
JCJ.T.S. Coimbra
J.T.S. Coimbra
RNRui Pedro Neves
Rui Pedro Neves
SMS.A. Martins
S.A. Martins
MRMaria Ramos
Maria Ramos
Protein-ligand docking is currently an important tool in drug discovery efforts and an active area of research that has been the subject of important developments over the last decade. These are well portrayed in the rising number of available protein-ligand docking software programs, increasing level of sophistication of its most recent applications, and growing number of users. While starting by summarizing the key concepts in protein-ligand docking, this article presents an analysis of the evolution of this important field of research over the past decade. Particular attention is given to the massive range of alternatives, in terms of protein-ligand docking software programs currently available. The emerging trends in this field are the subject of special attention, while old established docking alternatives are critically revisited. Current challenges in the field of protein-ligand docking such as the treatment of protein flexibility, the presence of structural water molecules and its effect in docking, and the entropy of binding are dissected and discussed, trying to anticipate the next years in the field.

1 September 2016 in WIREs Computational Molecular Science
Verified
Journal Article
Closed access
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Sergio F. SousaSergio F. Sousa
Sergio F. Sousa
ARAntonio J M Ribeiro
Antonio J M Ribeiro
RNRui Pedro Neves
Rui Pedro Neves
NBNatércia Brás
Natércia Brás
Nuno M. F. S. A CerqueiraNuno M. F. S. A Cerqueira
Nuno M. F. S. A Cerqueira
MRMaria Ramos
Maria Ramos

3 September 2021 in ACS Catalysis
Verified
Journal Article
Closed access
CJCarola Jerves
Carola Jerves
RNRui Pedro Neves
Rui Pedro Neves
MRMaria Ramos
Maria Ramos
SSSaulo da Silva
Saulo da Silva
Pedro Alexandrino FernandesPedro Alexandrino Fernandes
Pedro Alexandrino Fernandes

22 June 2021 in Chemical Reviews
Verified
Journal Article
Closed access
PPPedro Paiva
Pedro Paiva
FMFabiola E. Medina
Fabiola E. Medina
MVMatilde Viegas
Matilde Viegas
PFPedro Ferreira
Pedro Ferreira
RNRui Pedro Neves
Rui Pedro Neves
Pedro Alexandrino FernandesPedro Alexandrino Fernandes
Pedro Alexandrino Fernandes

6 August 2021 in ACS Catalysis
Verified
Journal Article
Closed access
APAlexandre V. Pinto
Alexandre V. Pinto
PFPedro Ferreira
Pedro Ferreira
RNRui Pedro Neves
Rui Pedro Neves
Pedro Alexandrino FernandesPedro Alexandrino Fernandes
Pedro Alexandrino Fernandes
MRMaria Ramos
Maria Ramos
Alexandre Lopes MagalhãesAlexandre Lopes Magalhães
Alexandre Lopes Magalhães

23 July 2020 in ACS Catalysis
Verified
Journal Article
Closed access
JSJoão Pedro Marques de Sousa
João Pedro Marques de Sousa
RNRui Pedro Neves
Rui Pedro Neves
Sergio F. SousaSergio F. Sousa
Sergio F. Sousa
MRMaria Ramos
Maria Ramos
Pedro Alexandrino FernandesPedro Alexandrino Fernandes
Pedro Alexandrino Fernandes