Premium
On the kinematics of protein folding
Author(s) -
Cahill Sean,
Cahill Michael,
Cahill Kevin
Publication year - 2003
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.10245
Subject(s) - kinematics , folding (dsp implementation) , loop (graph theory) , protein folding , simple (philosophy) , construct (python library) , monte carlo method , statistical physics , fold (higher order function) , computer science , physics , classical mechanics , mathematics , engineering , combinatorics , structural engineering , philosophy , statistics , epistemology , nuclear magnetic resonance , programming language
We offer simple solutions to three kinematic problems that occur in the folding of proteins. We show how to construct suitably local elementary Monte Carlo moves, how to close a loop, and how to fold a loop without breaking the bond that closes it. © 2003 Wiley Periodicals, Inc. J Comput Chem 24: 1364–1370, 2003