Three-Dimensional Molecular Theory of Solvation Coupled with Molecular Dynamics in Amber-Reference-Cited by-同舟云学术

Three-Dimensional Molecular Theory of Solvation Coupled with Molecular Dynamics in Amber

Published:2010-02-01 Issue:3 Volume:6 Page:607-624
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Luchko Tyler¹,Gusarov Sergey¹,Roe Daniel R.¹,Simmerling Carlos¹,Case David A.¹,Tuszynski Jack¹,Kovalenko Andriy¹

Affiliation:

1. National Institute for Nanotechnology, 11421 Saskatchewan Drive, Edmonton, Alberta T6G 2M9, Canada, Department of Physics, University of Alberta, Edmonton, Alberta T6G 2G7, Canada, Department of Mechanical Engineering, University of Alberta, Edmonton, Alberta T6G 2G8, Canada, National Institute of Standards and Technology, 100 Bureau Drive, Gaithersburg, Maryland 20899-8443, Department of Chemistry, Graduate Program in Biochemistry and Structural Biology, and Center for Structural Biology, Stony Brook...

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct900460m

Reference74 articles.

1. The Amber biomolecular simulation programs

2. Semianalytical treatment of solvation for molecular mechanics and dynamics

3. Density functional theory of nonuniform polyatomic systems. I. General formulation

4. Density functional theory of nonuniform polyatomic systems. II. Rational closures for integral equations

5. An Integral Equation To Describe the Solvation of Polar Molecules in Liquid Water

Cited by 235 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. Martini 3D-OZ: A Theoretical Investigation of Solvation Shell Structures and Solvation Free Energies of Martini Coarse-Grained Proteins;The Journal of Physical Chemistry B;2024-08-24

2. Structure and dimerization properties of the plant-specific copper chaperone CCH;Scientific Reports;2024-08-17

3. Thermodynamic Folding-Unfolding Transition and Potential Energy Landscape of a Mini-Protein Chignolin;Journal of the Physical Society of Japan;2024-08-15

4. Incorporating Prior Knowledge in the Seeds of Adaptive Sampling Molecular Dynamics Simulations of Ligand Transport in Enzymes with Buried Active Sites;Journal of Chemical Theory and Computation;2024-07-09

5. Advancements and Perspectives in Folate‐Based Anticancer Drugs: Bridging Quantum and Classical Mechanics in Folate Receptor Research;Advanced Theory and Simulations;2024-07-07