Nonfitting protein-ligand interaction scoring function based on first-principles theoretical chemistry methods: Development and application on kinase inhibitors-Reference-Cited by-同舟云学术

Nonfitting protein-ligand interaction scoring function based on first-principles theoretical chemistry methods: Development and application on kinase inhibitors

Published:2013-05-16 Issue:19 Volume:34 Page:1636-1646
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Rao Li,Zhang Igor Ying,Guo Wenping,Feng Li¹,Meggers Eric,Xu Xin

Affiliation:

1. Department of Chemistry; Philipps-University Marburg; Hans-Meerwein-Strasse; Marburg; 35032; Germany

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23303/fullpdf

Reference46 articles.

1. Targeting cancer with small molecule kinase inhibitors

2. INHIBITORS OF HIV-1 PROTEASE: A Major Success of Structure-Assisted Drug Design

3. A novel method for protein-ligand binding affinity prediction and the related descriptors exploration

4. A Quantum Mechanics-Based Scoring Function: Study of Zinc Ion-Mediated Ligand Binding

5. Protein/Ligand Binding Free Energies Calculated with Quantum Mechanics/Molecular Mechanics

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