DEKOIS: Demanding Evaluation Kits for Objective in Silico Screening — A Versatile Tool for Benchmarking Docking Programs and Scoring Functions

scientific article published on August 18, 2011

Details

Instance of: scholarly article
Publication date: 18 August 2011
Author: Matthias Bauer, Frank M. Boeckler
Main subject: in silico, molecular model
author name string: Simon M. Vogel
cites work: Virtual screening using protein-ligand docking: avoiding artificial enrichment, Virtual screening: an endless staircase?, What has virtual screening ever done for drug discovery?, Virtual ligand screening: strategies, perspectives and limitations, Virtual screening of chemical libraries, Approaches to the description and prediction of the binding affinity of small-molecule ligands to macromolecular receptors, Docking and scoring in virtual screening for drug discovery: methods and applications, Targeted rescue of a destabilized mutant of p53 by an in silico screened drug, Quo Vadis, Virtual Screening? A Comprehensive Survey of Prospective Applications, The druggable genome, Navigating chemical space for biology and medicine, A geometric approach to macromolecule-ligand interactions
issue: 10
language of work or name: English
page(s): 2650-2665
published in: Journal of Chemical Information and Modeling
title: DEKOIS: demanding evaluation kits for objective in silico screening--a versatile tool for benchmarking docking programs and scoring functions, DEKOIS: Demanding Evaluation Kits for Objective in Silico Screening — A Versatile Tool for Benchmarking Docking Programs and Scoring Functions
volume: 51

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