A general method for the derivation of the functional forms of the effective energy terms in coarse-grained energy functions of polymers. III. Determination of scale-consistent backbone-local and correlation potentials in the UNRES force field and force-field calibration and validation-Reference-Cited by-同舟云学术

A general method for the derivation of the functional forms of the effective energy terms in coarse-grained energy functions of polymers. III. Determination of scale-consistent backbone-local and correlation potentials in the UNRES force field and force-field calibration and validation

Published:2019-04-21 Issue:15 Volume:150 Page:155104
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Liwo Adam¹²^ORCID,Sieradzan Adam K.¹²,Lipska Agnieszka G.¹²^ORCID,Czaplewski Cezary¹²,Joung InSuk²,Żmudzińska Wioletta³,Hałabis Anna³,Ołdziej Stanisław³^ORCID

Affiliation:

1. Faculty of Chemistry, University of Gdańsk, ul. Wita-Stwosza 63, 80-308 Gdańsk, Poland

2. School of Computational Sciences, Korea Institute for Advanced Study, 87 Hoegiro, Dongdaemun-gu, 130-722 Seoul, South Korea

3. Intercollegiate Faculty of Biotechnology, University of Gdańsk and Medical University of Gdańsk, ul. Abrahama 58, 80-307 Gdańsk, Poland

Funder

Narodowe Centrum Nauki

Ministerstwo Nauki i Szkolnictwa Wyższego

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5093015

Reference58 articles.

1. A general method for the derivation of the functional forms of the effective energy terms in coarse-grained energy functions of polymers. I. Backbone potentials of coarse-grained polypeptide chains

2. Cumulant-based expressions for the multibody terms for the correlation between local and electrostatic interactions in the united-residue force field

3. Multiscale modeling of biomolecular systems: in serial and in parallel

4. Generalized Cumulant Expansion Method

5. A general method for the derivation of the functional forms of the effective energy terms in coarse-grained energy functions of polymers. II. Backbone-local potentials of coarse-grained O1→4-bonded polyglucose chains

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