A New Maximum Likelihood Approach for Free Energy Profile Construction from Molecular Simulations-Reference-Cited by-同舟云学术

A New Maximum Likelihood Approach for Free Energy Profile Construction from Molecular Simulations

Published:2012-12-26 Issue:1 Volume:9 Page:153-164
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Lee Tai-Sung¹,Radak Brian K.¹²,Pabis Anna³,York Darrin M.¹

Affiliation:

1. BioMaPS Institute for Quantitative Biology and Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854, United States

2. Department of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455, United States

3. Institute of Applied Radiation Chemistry, Faculty of Chemistry, Lodz University of Technology, Zeromskiego 116, 90-924 Lodz, Poland

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct300703z

Reference86 articles.

1. Monte Carlo Estimation of the Free Energy by Multistage Sampling

2. Monte Carlo free energy estimates using non-Boltzmann sampling: Application to the sub-critical Lennard-Jones fluid

3. Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling

4. Accelerated molecular dynamics: A promising and efficient simulation method for biomolecules

Cited by 76 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. Algorithm xxx: A C++ Class for Robust Linear Barycentric Rational Interpolation;ACM Transactions on Mathematical Software;2024-08-27

2. Unveiling Cas8 Dynamics and Regulation within a transposon-encoded Cascade-TniQ Complex;2024-06-21

3. Variational umbrella seeding for calculating nucleation barriers;The Journal of Chemical Physics;2024-05-01

4. Surface-Accelerated String Method for Locating Minimum Free Energy Paths;Journal of Chemical Theory and Computation;2024-02-17

5. Perspectives on Computational Enzyme Modeling: From Mechanisms to Design and Drug Development;ACS Omega;2024-02-08