SURFMAP: A Software for Mapping in Two Dimensions Protein Surface Features.


Journal

Journal of chemical information and modeling
ISSN: 1549-960X
Titre abrégé: J Chem Inf Model
Pays: United States
ID NLM: 101230060

Informations de publication

Date de publication:
11 04 2022
Historique:
pubmed: 30 3 2022
medline: 13 4 2022
entrez: 29 3 2022
Statut: ppublish

Résumé

Molecular cartography using two-dimensional (2D) representation of protein surfaces has been shown to be very promising for protein surface analysis. Here, we present SURFMAP, a free standalone and easy-to-use software that enables the fast and automated 2D projection of either predefined features of protein surface (i.e., electrostatic potential, hydrophobicity, stickiness, and surface relief) or any descriptor encoded in the temperature factor column of a PDB file. SURFMAP proposes three different "equal-area" projections that have the advantage of preserving the area measures. It provides the user with (i) 2D maps that enable the easy and visual analysis of protein surface features of interest and (ii) maps in a text file format allowing the fast and straightforward quantitative comparison of 2D maps of homologous proteins.

Identifiants

pubmed: 35349266
doi: 10.1021/acs.jcim.1c01269
doi:

Types de publication

Journal Article Research Support, Non-U.S. Gov't

Langues

eng

Sous-ensembles de citation

IM

Pagination

1595-1601

Auteurs

Hugo Schweke (H)

Université Paris-Saclay, CEA, CNRS, Institute for Integrative Biology of the Cell (I2BC), Gif-sur-Yvette 91198, France.
Department of Chemical and Structural Biology, Weizmann Institute of Science, Rehovot 7610001, Israel.

Marie-Hélène Mucchielli (MH)

Université Paris-Saclay, CNRS, INRAE, Université Evry, Institute of Plant Sciences Paris-Saclay (IPS2), Gif-sur-Yvette 91190, France.
Université de Paris, Institute of Plant Sciences Paris-Saclay (IPS2), Gif-sur-Yvette 91190, France.

Nicolas Chevrollier (N)

Independent investigator, Nyoiseau 49500, France.

Simon Gosset (S)

Université Paris-Saclay, CNRS, INRAE, Université Evry, Institute of Plant Sciences Paris-Saclay (IPS2), Gif-sur-Yvette 91190, France.
Université de Paris, Institute of Plant Sciences Paris-Saclay (IPS2), Gif-sur-Yvette 91190, France.

Anne Lopes (A)

Université Paris-Saclay, CEA, CNRS, Institute for Integrative Biology of the Cell (I2BC), Gif-sur-Yvette 91198, France.

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Classifications MeSH