Application of Molecular Dynamics Simulations in Molecular Property Prediction. 1. Density and Heat of Vaporization-Reference-Cited by-同舟云学术

Application of Molecular Dynamics Simulations in Molecular Property Prediction. 1. Density and Heat of Vaporization

Published:2011-06-08 Issue:7 Volume:7 Page:2151-2165
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Wang Junmei¹,Hou Tingjun²

Affiliation:

1. Department of Pharmacology, University of Texas Southwestern Medical Center at Dallas, 5323 Harry Hines Boulevard, Dallas, Texas 75390-9050, United States

2. Institute of Nano & Soft Materials (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices, Soochow University, Suzhou, Jiangsu 215123, P. R. China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct200142z

Reference66 articles.

1. Molecular dynamics simulations of biomolecules

2. Validation of molecular dynamics simulation

3. All-atom empirical force field for nucleic acids: I. Parameter optimization based on small molecule and condensed phase macromolecular target data

4. All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins

5. A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

Cited by 117 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. Molecular dynamics study on phase change properties and their nano-mechanism of sugar alcohols: Melting and latent heat;International Journal of Heat and Mass Transfer;2024-12

2. Accurate Density Prediction of Sesquiterpenoid HEDFs and the Multiproperty Computing Server SesquiterPre;ACS Omega;2024-06-05

3. FFParam-v2.0: A Comprehensive Tool for CHARMM Additive and Drude Polarizable Force-Field Parameter Optimization and Validation;The Journal of Physical Chemistry B;2024-05-01

4. Interfacial Solar Evaporation: From Fundamental Research to Applications;Advanced Materials;2024-03-12

5. Reparameterization of Polarizable Force Fields for Studying Ion Transfer across Liquid–Liquid Interfaces;The Journal of Physical Chemistry B;2024-02-14