Ranking Enzyme Structures in the PDB by Bound Ligand Similarity to Biological Substrates-Reference-Cited by-同舟云学术

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Ranking Enzyme Structures in the PDB by Bound Ligand Similarity to Biological Substrates

Published:2018-04 Issue:4 Volume:26 Page:565-571.e3
ISSN:0969-2126
Container-title:Structure
language:en
Short-container-title:Structure

Author:

Tyzack Jonathan D.,Fernando Laurent,Ribeiro Antonio J.M.,Borkakoti Neera,Thornton Janet M.

Funder

European Molecular Biology Laboratory

Publisher

Elsevier BV

Subject

Molecular Biology,Structural Biology

Reference42 articles.

1. Three-dimensional similarity in molecular docking: prioritizing ligand poses on the basis of experimental binding modes;Anighoro;J. Chem. Inf. Model.,2016

2. The art of compiling protein binding site ensembles;Bietz;Mol. Inform.,2016

3. ChemAxon. (2016). MarvinSketch, Version 16.6.13.0.

4. Predicting ligand binding modes from neural networks trained on protein–ligand interaction fingerprints;Chupakhin;J. Chem. Inf. Model.,2013

5. Knowledge-guided docking: accurate prospective prediction of bound configurations of novel ligands using Surflex-Dock;Cleves;J. Comput. Aided Mol. Des.,2015

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