Entropy of Two-Molecule Correlated Translational-Rotational Motions Using the kth Nearest Neighbor Method-Reference-Cited by-同舟云学术

Entropy of Two-Molecule Correlated Translational-Rotational Motions Using the kth Nearest Neighbor Method

Published:2021-04-15 Issue:5 Volume:17 Page:3039-3051
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Fogolari Federico¹²^ORCID,Esposito Gennaro²³^ORCID,Tidor Bruce⁴^ORCID

Affiliation:

1. Dipartimento di Scienze Matematiche, Informatiche e Fisiche (DMIF), University of Udine, Via delle Scienze 206, 33100 Udine, Italy

2. Istituto Nazionale Biostrutture e Biosistemi, Viale medaglie d’Oro 305, 00136 Roma, Italy

3. Science and Math Division, New York University at Abu Dhabi, P.O. Box 129188, Abu Dhabi, United Arab Emirates

4. Department of Biological Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States

Funder

Regione Autonoma Friuli Venezia Giulia

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00016

Reference29 articles.

1. The statistical-thermodynamic basis for computation of binding affinities: a critical review

2. Theory of Free Energy and Entropy in Noncovalent Binding

3. The price of lost freedom: entropy of bimolecular complex formation

4. Orientational correlations and entropy in liquid water

5. Thermodynamic Properties of Liquid Water: An Application of a Nonparametric Approach to Computing the Entropy of a Neat Fluid

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