A comparative study of trypsin specificity based on QM/MM molecular dynamics simulation and QM/MM GBSA calculation-Reference-Cited by-同舟云学术

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A comparative study of trypsin specificity based on QM/MM molecular dynamics simulation and QM/MM GBSA calculation

Published:2015-01-23 Issue:12 Volume:33 Page:2606-2618
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Chen Jianzhong,Wang Jinan,Zhang Qinggang,Chen Kaixian,Zhu Weiliang

Funder

National Natural Science Foundation of China

China Postdoctoral Science Foundation

Shandong University of Science and Technology

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

http://www.tandfonline.com/doi/pdf/10.1080/10256018808623883

Reference69 articles.

1. Very fast prediction and rationalization of pKa values for protein-ligand complexes

2. Some multistep methods for use in molecular dynamics calculations

3. The refined 2.0 Å X-ray crystal structure of the complex formed between bovine β-trypsin and CMTI-I, a trypsin inhibitor from squash seeds (Cucurbita maxima) Topological similarity of the squash seed inhibitors with the carboxypeptidase A inhibitor from p

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