Understanding the kinetics of ligand binding to globins with molecular dynamics simulations: the necessity of multiple state models-Reference-Cited by-同舟云学术

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Understanding the kinetics of ligand binding to globins with molecular dynamics simulations: the necessity of multiple state models

Published:2015-10 Issue: Volume:17 Page:22-27
ISSN:1740-6749
Container-title:Drug Discovery Today: Technologies
language:en
Short-container-title:Drug Discovery Today: Technologies

Author:

Estarellas Martin Carolina,Seira Castan Constantí,Luque Garriga F. Javier,Bidon-Chanal Badia Axel

Funder

Ministerio de Economía y Competitividad

Generalitat de Catalunya

Spanish Ministerio de Ecomonía y Competitivdad

ICREA

Publisher

Elsevier BV

Subject

Drug Discovery,Molecular Medicine

Reference47 articles.

1. Lehninger principles of biochemistry,2012

2. A phylogenomic profile of globins;Vinogradov;BMC Evol Biol,2006

3. Ligand migration through hemeprotein cavities: insights from laser flash photolysis and molecular dynamics simulations;Abbruzzetti;Phys Chem Chem Phys,2013

4. Frontier residues lining globin internal cavities present specific mechanical properties;Bocahut;J Am Chem Soc,2011

5. Protein flexibility and ligand recognition: challenges for molecular modeling;Spyrakis;Curr Top Med Chem,2011

Cited by 2 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Interaction between iron ion and dipole carbon monoxide inside spherical cavities;The European Physical Journal D;2021-01

2. Ligand diffusion in proteins via enhanced sampling in molecular dynamics;Physics of Life Reviews;2017-12

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