Dynamic and Electrostatic Effects on the Reaction Catalyzed by HIV-1 Protease
Author:
Affiliation:
1. Institute of Applied Radiation Chemistry, Faculty of Chemistry, Lodz University of Technology, Zeromskiego 116, 90-924 Lodz, Poland
2. Departament de Química Física i Analítica, Universitat Jaume I, 12071 Castelló, Spain
Funder
Generalitat Valenciana
Ministerstwo Nauki i Szkolnictwa Wyzszego
Universitat Jaume I
Ministerio de Economía y Competitividad
National Institute of General Medical Sciences
Publisher
American Chemical Society (ACS)
Subject
Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis
Link
https://pubs.acs.org/doi/pdf/10.1021/jacs.6b06856
Reference118 articles.
1. Substrate Shape Determines Specificity of Recognition for HIV-1 Protease
2. Dual Inhibitors for Aspartic Proteases HIV-1 PR and Renin: Advancements in AIDS–Hypertension–Diabetes Linkage via Molecular Dynamics, Inhibition Assays, and Binding Free Energy Calculations
3. The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-ray Diffraction
4. Rapid structural fluctuations of the free HIV protease flaps in solution: Relationship to crystal structures and comparison with predictions of dynamics calculations
5. HIV-1 protease flaps spontaneously open and reclose in molecular dynamics simulations
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