Reduced Point Charge Models of Proteins: Effect of Protein–Water Interactions in Molecular Dynamics Simulations of Ubiquitin Systems-Reference-Cited by-同舟云学术

Reduced Point Charge Models of Proteins: Effect of Protein–Water Interactions in Molecular Dynamics Simulations of Ubiquitin Systems

Published:2017-10-17 Issue:42 Volume:121 Page:9771-9784
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Leherte Laurence¹^ORCID,Vercauteren Daniel P.¹

Affiliation:

1. Laboratoire de Physico-Chimie Informatique, Unité de Chimie Physique Théorique et Structurale, Department of Chemistry, Namur Medicine & Drug Innovation Center (NAMEDIC), Namur Institute of Structured Matter (NISM), University of Namur, Rue de Bruxelles 61, B-5000 Namur, Belgium

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/acs.jpcb.7b06355

Reference46 articles.

1. Water structure and interactions with protein surfaces

2. Water Determines the Structure and Dynamics of Proteins

3. Protein Structure and Dynamics in Nonaqueous Solvents: Insights from Molecular Dynamics Simulation Studies

4. Water-Protein Interactions: The Secret of Protein Dynamics

5. Protein and solvent dynamics: How strongly are they coupled?

Cited by 6 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. Spontaneous binding of single-stranded RNAs to RRM proteins visualized by unbiased atomistic simulations with a rescaled RNA force field;Nucleic Acids Research;2022-11-28

2. Spontaneous binding of single-stranded RNAs to RRM proteins visualised by unbiased atomistic simulations with rescaled RNA force field;2022-07-22

3. Computational Screening for the Anticancer Potential of Seed-Derived Antioxidant Peptides: A Cheminformatic Approach;Molecules;2021-12-06

4. Molecular Dynamics Simulation in Drug Discovery: Opportunities and Challenges;Innovations and Implementations of Computer Aided Drug Discovery Strategies in Rational Drug Design;2021

5. From quantum to subcellular scales: multi-scale simulation approaches and the SIRAH force field;Interface Focus;2019-04-19