Literature DB >> 14505464

Molecular modelling probes: docking and scoring.

R T Kroemer1.   

Abstract

A general introduction to molecular modelling techniques in the area of protein-ligand interactions is given. Methods covered range from binding-site analysis to statistical treatment of sets of ligands. The main focus of this paper is on docking and scoring. After an outline of the main concepts, two specific application examples are given.

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Year:  2003        PMID： 14505464     DOI： 10.1042/bst0310980

Source DB:  PubMed          Journal:  Biochem Soc Trans        ISSN： 0300-5127            Impact factor:   5.407


  4 in total

1.  Can we use docking and scoring for hit-to-lead optimization?

Authors:  Istvan J Enyedy; William J Egan
Journal:  J Comput Aided Mol Des       Date:  2008-01-09       Impact factor: 3.686

2.  Docking-undocking combination applied to the D3R Grand Challenge 2015.

Authors:  Sergio Ruiz-Carmona; Xavier Barril
Journal:  J Comput Aided Mol Des       Date:  2016-10-05       Impact factor: 3.686

3.  Molecular docking study of catecholamines and [4-(propan-2-yl) phenyl]carbamic acid with tyrosine hydroxylase.

Authors:  Zahida Parveen; Muhammad Sulaman Nawaz; Shazi Shakil; Nigel H Greig; Mohammad A Kamal
Journal:  CNS Neurol Disord Drug Targets       Date:  2012-06-01       Impact factor: 4.388

4.  Regulation of metabolic networks by small molecule metabolites.

Authors:  Alex Gutteridge; Minoru Kanehisa; Susumu Goto
Journal:  BMC Bioinformatics       Date:  2007-03-13       Impact factor: 3.169
  4 in total

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