Assessing the performance of the molecular mechanics/Poisson Boltzmann surface area and molecular mechanics/generalized Born surface area methods. II. The accuracy of ranking poses generated from docking-Reference-Cited by-同舟云学术

Assessing the performance of the molecular mechanics/Poisson Boltzmann surface area and molecular mechanics/generalized Born surface area methods. II. The accuracy of ranking poses generated from docking

Published:2010-10-14 Issue:5 Volume:32 Page:866-877
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Hou Tingjun,Wang Junmei,Li Youyong,Wang Wei

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.21666/fullpdf

Reference47 articles.

1. Recent Development and Application of Virtual Screening in Drug Discovery: An Overview

2. Virtual screening of chemical libraries

3. A geometric approach to macromolecule-ligand interactions

4. Jones , G. Willett , P. Glen , R. C. Leach , A. R. Taylor , R. Abstracts of Papers of the 214th American Chemical Society National Meeting 1997

5. The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure

Cited by 643 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Investigation of the structural and thermodynamic properties of the inclusion complex of apixaban with natural cyclodextrins;Journal of Molecular Structure;2024-12

2. Antiparkinson potential of khellin on rotenone-induced Parkinson's disease in a zebrafish model: targeting MAO, inflammatory, and oxidative stress markers with molecular docking, MD simulations, and histopathology evidence;Comparative Biochemistry and Physiology Part C: Toxicology & Pharmacology;2024-10

3. Prediction of Inhibitory Activity against the MATE1 Transporter via Combined Fingerprint- and Physics-Based Machine Learning Models;Journal of Chemical Information and Modeling;2024-09-10

4. Fluorimetric Tool to Discriminate Glomerular and Tubular Injuries In Vivo;Analytical Chemistry;2024-08-30

5. Characterization of the Three DHFRs and K65P Variant: Enhanced Substrate Affinity and Molecular Dynamics Analysis;The Protein Journal;2024-08-23