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Cover Image, Volume 37, Issue 13
Publication year - 2016
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.24387
Subject(s) - cover (algebra) , computer science , citation , image (mathematics) , volume (thermodynamics) , adenylate kinase , information retrieval , artificial intelligence , library science , chemistry , physics , biochemistry , receptor , mechanical engineering , engineering , quantum mechanics
On page 1139 (DOI: 10.1002/jcc.24296 ) Yasushige Yonezawa presents a simple, efficient method to predict natural transition pathways between two endpoint states of an allosteric protein. Multiple iterative molecular dynamics simulations guided by different distance matrices provide an approach for identifying states involving concerted slow motion. A series of structures are readily generated along the transition pathways of adenylate kinase.