Ligand Binding Rate Constants in Heme Proteins Using Markov State Models and Molecular Dynamics Simulations-Reference-Cited by-同舟云学术

Ligand Binding Rate Constants in Heme Proteins Using Markov State Models and Molecular Dynamics Simulations

Published:2019-08-14 Issue:19 Volume:20 Page:2451-2460
ISSN:1439-4235
Container-title:ChemPhysChem
language:en
Short-container-title:ChemPhysChem

Author:

Bringas Mauro¹²,Lombardi Leandro E.³,Luque F. Javier⁴⁵^ORCID,Estrin Darío A.¹²^ORCID,Capece Luciana¹²^ORCID

Affiliation:

1. Departamento de Química Inorgánica, Analítica y Química Física, Facultad de Ciencias Exactas y Naturales Universidad de Buenos Aires C1428EGA Buenos Aires Argentina

2. Instituto de Química Física de los Materiales Medio Ambiente y Energía (INQUIMAE-CONICET) C1428EGA Buenos Aires Argentina

3. Instituto de Cálculo, Facultad de Ciencias Exactas y Naturales Universidad de Buenos Aires – CONICET C1428EGA Buenos Aires Argentina

4. Department of Nutrition, Food Sciences and Gastronomy, Faculty of Pharmacy and Food Sciences University of Barcelona, Campus Torribera 08921 Santa Coloma de Gramenet Spain

5. Institute of Biomedicine (IBUB) and Institute of Theoretical and Computational Chemistry (IQTCUB) University of Barcelona 08028 Barcelona Spain

Funder

Universidad de Buenos Aires

Generalitat de Catalunya

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Atomic and Molecular Physics, and Optics

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/cphc.201900589

Reference64 articles.

1. Rate Constants and Mechanisms of Protein–Ligand Binding