DrugScoreCSDKnowledge-Based Scoring Function Derived from Small Molecule Crystal Data with Superior Recognition Rate of Near-Native Ligand Poses and Better Affinity Prediction-Reference-Cited by-同舟云学术

DrugScoreCSDKnowledge-Based Scoring Function Derived from Small Molecule Crystal Data with Superior Recognition Rate of Near-Native Ligand Poses and Better Affinity Prediction

Published:2005-09-07 Issue:20 Volume:48 Page:6296-6303
ISSN:0022-2623
Container-title:Journal of Medicinal Chemistry
language:en
Short-container-title:J. Med. Chem.

Author:

Velec Hans F. G.¹,Gohlke Holger¹,Klebe Gerhard¹

Affiliation:

1. Institute of Pharmaceutical Chemistry, University of Marburg, Marbacher Weg 6, D-35032 Marburg, Germany, and Department of Biology and Computer Science, J. W. Goethe-University, Marie-Curie-Straβe 9, D-60439 Frankfurt/Main, Germany

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/jm050436v

Reference45 articles.

1. People

2. Predicting Protein−Ligand Binding Affinities Using Novel Geometrical Descriptors and Machine-Learning Methods

3. Novel Scoring Functions Comprising QXP, SASA, and Protein Side-Chain Entropy Terms

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