Shape complementarity at protein interfaces via global docking optimisation

Gareth Williams

doi:10.1016/j.jmgm.2018.06.011

Shape complementarity at protein interfaces via global docking optimisation

Gareth Williams

Wolfson SPaRC

Research output: Contribution to journal › Article › peer-review

2 Citations (Scopus)

266 Downloads (Pure)

Abstract

Protein complexes are characterised by shape complementarity at the interface. Here we present a simple fast global shape fitting algorithm to investigate the extent to which interfaces are global minima of complementarity. The algorithm is applied to a varied set of hetero and homo complexes and complexes between complexes showing that over 90% of large interfaces are global maxima in the space of shape complementarity.

Original language	English
Journal	JOURNAL OF MOLECULAR GRAPHICS AND MODELLING
Early online date	15 Jun 2018
DOIs	https://doi.org/10.1016/j.jmgm.2018.06.011
Publication status	E-pub ahead of print - 15 Jun 2018

Keywords

Protein structure
Protein-protein docking
Shape complementarity

Access to Document

10.1016/j.jmgm.2018.06.011

Shape complementarity at protein_WILLIAMS_Accepted12June2018_GREEN AAM (CC BY-NC-ND)
© <2018> This manuscript version is made available under the CC-BY-NC-ND 4.0 license https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode
Accepted author manuscript, 4.85 MBLicence: CC BY-NC-ND

Cite this

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