Literature DB >> 17228977

Rank-ordering protein-ligand binding affinity by a quantum mechanics/molecular mechanics/Poisson-Boltzmann-surface area model.

Mingliang Wang1, Chung F Wong.   

Abstract

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Year:  2007        PMID： 17228977     DOI： 10.1063/1.2423029

Source DB:  PubMed          Journal:  J Chem Phys        ISSN： 0021-9606            Impact factor:   3.488


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  3 in total

1.  A QM/MM study of the binding of RAPTA ligands to cathepsin B.

Authors:  Antonella Ciancetta; Samuel Genheden; Ulf Ryde
Journal:  J Comput Aided Mol Des       Date:  2011-06-24       Impact factor: 3.686

2.  Exploration of Binding Mechanism of a Potential Streptococcus pneumoniae Neuraminidase Inhibitor from Herbaceous Plants by Molecular Simulation.

Authors:  Shanshan Guan; Ketong Zhu; Yanjiao Dong; Hao Li; Shuang Yang; Song Wang; Yaming Shan
Journal:  Int J Mol Sci       Date:  2020-02-03       Impact factor: 5.923

3.  Accurate Binding Free Energy Method from End-State MD Simulations.

Authors:  Ebru Akkus; Omer Tayfuroglu; Muslum Yildiz; Abdulkadir Kocak
Journal:  J Chem Inf Model       Date:  2022-08-16       Impact factor: 6.162
  3 in total

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