Identifying Free Energy Hot-Spots in Molecular Transformations-Reference-Cited by-同舟云学术

Identifying Free Energy Hot-Spots in Molecular Transformations

Published:2019-03-01 Issue:10 Volume:123 Page:2163-2170
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Dietschreit Johannes C. B.¹²,Peters Laurens D. M.¹²,Kussmann Jörg¹²,Ochsenfeld Christian¹²^ORCID

Affiliation:

1. Chair of Theoretical Chemistry, Department of Chemistry, University of Munich (LMU), Butenandtstr. 7, D-81377 München, Germany

2. Center for Integrated Protein Science (CIPSM) at the Department of Chemistry, University of Munich (LMU), Butenandtstr. 5−13, D-81377 München, Germany

Funder

Max-Planck-Gesellschaft

Deutsche Forschungsgemeinschaft

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.8b12309

Reference55 articles.

1. Free Energy Calculations

2. Practical Aspects of Free-Energy Calculations: A Review

3. Equation of State Calculations by Fast Computing Machines

4. Monte Carlo sampling methods using Markov chains and their applications

5. STUDIES OF THE NONLINEAR PROBLEMS

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