Dynamical Spatial Warping: A Novel Method for the Conformational Sampling of Biophysical Structure

DOI10.1137/070686706MaRDI QIDQ5320698zbMATH OpenOpenAlexFDO

Authors Peter Minary, Mark E. Tuckerman, Glenn J. Martyna

Publication date 22 July 2009

Published in SIAM Journal on Scientific Computing (Search for Journal in Brave)

Full work available at URL https://semanticscholar.org/paper/14b7a637858bb018eadbc29e00ebe8a5bdae5ffe

zbMATH Keywords

Monte Carlononlinear transformationsampling

Mathematics Subject Classification ID

Dynamical systems in biology (37N25) Monte Carlo methods (65C05) Biophysics (92C05) Biochemistry, molecular biology (92C40)

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Cited in

(3)

• A comparison of generalized hybrid Monte Carlo methods with and without momentum flip
• Adaptive conformational sampling based on replicas
• Sampling of conformation space in torsion angle dynamics calculations

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