Exploring the selectivity of inhibitor complexes with Bcl-2 and Bcl-XL: A molecular dynamics simulation approach-Reference-Cited by-同舟云学术

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Exploring the selectivity of inhibitor complexes with Bcl-2 and Bcl-XL: A molecular dynamics simulation approach

Published:2018-01 Issue: Volume:79 Page:166-174
ISSN:1093-3263
Container-title:Journal of Molecular Graphics and Modelling
language:en
Short-container-title:Journal of Molecular Graphics and Modelling

Author:

Wakui Naoki,Yoshino Ryunosuke,Yasuo Nobuaki,Ohue Masahito,Sekijima Masakazu

Funder

Ministry of Education, Culture, Sports, Science and Technology

Japan Agency for Medical Research and Development

Japan Science and Technology Agency

Publisher

Elsevier BV

Subject

Materials Chemistry,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Spectroscopy

Reference59 articles.

1. Computational methods in drug discovery;Leelananda;J. Org. Chem.,2016

2. Pharmacophore modeling for anti-Chagas drug design using the fragment molecular orbital method;Yoshino;PLoS One,2015

3. In silico, in vitro, X-ray crystallography, and integrated strategies for discovering spermidine synthase inhibitors for Chagas disease;Yoshino;Sci. Rep.,2017

4. Identification of potential inhibitors based on compound proposal contest: tyrosine-protein kinase Yes as a target;Chiba;Sci. Rep.,2015

5. An iterative compound screening contest method for identifying target protein inhibitors using the tyrosine-protein kinase Yes;Chiba;Sci. Rep.,2017

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