A unified coarse-grained model of biological macromolecules based on mean-field multipole-multipole interactions

Journal of Molecular Modeling

Volumn 20, Issue 8, 2014, Pages

  Liwo, Adam ^a   Baranowski, Maciej ^a   Czaplewski, Cezary ^a   Gołaś, Ewa ^a,b   He, Yi ^b   Jagieła, Dawid ^a   Krupa, Paweł ^a,b   Maciejczyk, Maciej ^c   Makowski, Mariusz ^a   Mozolewska, Magdalena A ^a,b   Niadzvedtski, Andrei ^a   Ołdziej, Stanisław ^a   Scheraga, Harold A ^b   Sieradzan, Adam K ^a   Ślusarz, Rafał ^a   Wirecki, Tomasz ^a,b   Yin, Yanping ^b   Zaborowski, Bartłomiej ^a,b  

^a UNIVERSITY OF GDA SK   (Poland)

^b Intercollegiate Faculty of Biotechnology University of Gdansk Medical University of Gdansk ^*  (United States)

^c UNIVERSITY OF WARMIA AND MAZURY IN OLSZTYN   (Poland)

Author keywords

Coarse graining; Mean field approach; Multipole multipole interactions; Nucleic acids; Polysaccharides; Proteins

Indexed keywords

BIOPOLYMER; POLYSACCHARIDE; MACROMOLECULE; NUCLEIC ACID; PEPTIDE; PROTEIN; PROTEIN BINDING;

ALPHA HELIX; ARTICLE; BETA SHEET; DIPOLE; MACROMOLECULE; MOLECULAR INTERACTION; MOLECULAR MODEL; PRIORITY JOURNAL; SIMULATION; CHEMISTRY; MOLECULAR DYNAMICS; PROTEIN SECONDARY STRUCTURE;

MACROMOLECULAR SUBSTANCES; MOLECULAR DYNAMICS SIMULATION; NUCLEIC ACIDS; PEPTIDES; POLYSACCHARIDES; PROTEIN BINDING; PROTEIN STRUCTURE, SECONDARY; PROTEINS;

EID: 84905641308     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-014-2306-5     Document Type: Article

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