Reaction Mechanism of HIV-1 Protease by Hybrid Car-Parrinello/Classical MD Simulations-Reference-Cited by-同舟云学术

Reaction Mechanism of HIV-1 Protease by Hybrid Car-Parrinello/Classical MD Simulations

Published:2004-06-25 Issue:30 Volume:108 Page:11139-11149
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Piana Stefano¹,Bucher Denis¹,Carloni Paolo¹,Rothlisberger Ursula¹

Affiliation:

1. Scuola Internazionale Superiore di Studi Avanzati and INFM - DEMOCRITOS National Simulation Center, Via Beirut 2-4, 34014 Trieste, Italy, Laboratory of Computational Chemistry and Biochemistry, Federal Institute of Technology - EPFL, 1015 Lausanne, Switzerland, and Nanochemistry Research Institute, Curtin University of Technology, P.O. Box U 1987, Perth WA 6845, Australia

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp037651c

Reference64 articles.

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

2. Molecular mechanics calculations on HIV-1 protease with peptide substrates correlate with experimental data

3. Molecular Dynamics Study of HIV-1 Protease−Substrate Complex: Roles of the Water Molecules at the Loop Structures of the Active Site

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