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Analysis of institutional authors

Arola Ferrer, Luis MariaAuthorSalvadó Rovira, Maria JosepaAuthorBladé Segarra, Maria CintaAuthorFernández Larrea, Juan BautistaAuthorPujadas Anguiano, GerardAuthorBlay Olivé, Maria TeresaAuthorVaque Marques, MontserratAuthorArdèvol Grau, AnnaAuthorFernández-Larrea JAuthorArola LAuthor

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Review

Protein-ligand docking: A review of recent advances and future perspectives

Publicated to:Current Pharmaceutical Analysis. 4 (1): 1-19 - 2008-02-01 4(1), DOI: 10.2174/157341208783497597

Authors: Vaque, Montserrat; Ardrevol, Anna; Blade, Cinta; Salvado, M Josepa; Blay, Mayte; Fernandez-Larrea, Juan; Arola, Lluis; Pujadas, Gerard

Affiliations

Univ Rovira & Virgili, Dept Bioquim & Biotecnol, Tarragona 43007, Catalonia, Spain - Author
Universitat Rovira i Virgili - Author

Abstract

Understanding the interactions between proteins and ligands is crucial for the pharmaceutical and functional food industries. The experimental structures of these protein/ligand complexes are usually obtained, under highly expert control, by time-consuming techniques such as X-ray crystallography or NMR. These techniques are therefore not suitable for routinely screening the possible interaction between one receptor and thousands of ligands. To overcome this limitation, computational algorithms (i.e. docking algorithms) have been developed that use the individual structures of the receptor and ligand to predict the structure of their complex. The present review, then, summarizes: (a) the fundamentals of the algorithms of the most commontly used docking programmes (with particular emphasis on their strengths and limitations); (b) how the results from different docking algorithms compare (i.e. which software gives the best predictions); and (c) the future perspectives and challenges for docking techniques. © 2008 Bentham Science Publishers Ltd.

Keywords

Accommodating receptor flexibilityAutodockAutomated dockingBinding-sitesDrug designEfficient molecular dockingEhitsEmpirical scoring functionsFlexible ligandsGlideGoldHomology modelsIncremental construction algorithmMolegro virtual dockerSide-chain flexibility

Quality index

Bibliometric impact. Analysis of the contribution and dissemination channel

The work has been published in the journal Current Pharmaceutical Analysis due to its progression and the good impact it has achieved in recent years, according to the agency Scopus (SJR), it has become a reference in its field. In the year of publication of the work, 2008, it was in position , thus managing to position itself as a Q2 (Segundo Cuartil), in the category Pharmaceutical Science. Notably, the journal is positioned en el Cuartil Q4 for the agency WoS (JCR) in the category Pharmacology & Pharmacy.

From a relative perspective, and based on the normalized impact indicator calculated from the Field Citation Ratio (FCR) of the Dimensions source, it yields a value of: 7.39, which indicates that, compared to works in the same discipline and in the same year of publication, it ranks as a work cited above average. (source consulted: Dimensions Jun 2025)

Specifically, and according to different indexing agencies, this work has accumulated citations as of 2025-06-28, the following number of citations:

  • WoS: 70
  • Scopus: 84

Impact and social visibility

From the perspective of influence or social adoption, and based on metrics associated with mentions and interactions provided by agencies specializing in calculating the so-called "Alternative or Social Metrics," we can highlight as of 2025-06-28:

  • The use, from an academic perspective evidenced by the Altmetric agency indicator referring to aggregations made by the personal bibliographic manager Mendeley, gives us a total of: 145.
  • The use of this contribution in bookmarks, code forks, additions to favorite lists for recurrent reading, as well as general views, indicates that someone is using the publication as a basis for their current work. This may be a notable indicator of future more formal and academic citations. This claim is supported by the result of the "Capture" indicator, which yields a total of: 144 (PlumX).

With a more dissemination-oriented intent and targeting more general audiences, we can observe other more global scores such as:

  • The Total Score from Altmetric: 3.
  • The number of mentions on Wikipedia: 1 (Altmetric).

Leadership analysis of institutional authors

There is a significant leadership presence as some of the institution’s authors appear as the first or last signer, detailed as follows: First Author (Vaqué M) and Last Author (Pujadas G).

the author responsible for correspondence tasks has been Pujadas G.