L
Leo S. D. Caves
Researcher at University of York
Publications - 58
Citations - 10215
Leo S. D. Caves is an academic researcher from University of York. The author has contributed to research in topics: Peptide & Peptide sequence. The author has an hindex of 19, co-authored 56 publications receiving 8770 citations. Previous affiliations of Leo S. D. Caves include Harvard University & National Institutes of Health.
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Journal ArticleDOI
CHARMM: the biomolecular simulation program.
Bernard R. Brooks,Charles L. Brooks,Alexander D. MacKerell,Lennart Nilsson,Robert J. Petrella,Benoît Roux,Youngdo Won,Georgios Archontis,Christian Bartels,Stefan Boresch,Amedeo Caflisch,Leo S. D. Caves,Qiang Cui,Aaron R. Dinner,Michael Feig,Stefan Fischer,Jiali Gao,Milan Hodošček,Wonpil Im,K. Kuczera,Themis Lazaridis,Jianpeng Ma,V. Ovchinnikov,Emanuele Paci,Richard W. Pastor,Carol Beth Post,Jingzhi Pu,M. Schaefer,Bruce Tidor,Richard M. Venable,H. L. Woodcock,Xiongwu Wu,Wei Yang,Darrin M. York,Martin Karplus,Martin Karplus +35 more
TL;DR: An overview of the CHARMM program as it exists today is provided with an emphasis on developments since the publication of the original CHARMM article in 1983.
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Bio3d: an R package for the comparative analysis of protein structures
TL;DR: An automated procedure for the analysis of homologous protein structures has been developed that facilitates the characterization of internal conformational differences and inter-conformer relationships and provides a framework for theAnalysis of protein structural evolution.
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Locally accessible conformations of proteins: Multiple molecular dynamics simulations of crambin
TL;DR: The overall average structure is significantly closer to the X‐ray structure than any of the individual trajectory average structures, and multiple trajectories with different initial conditions should be used rather than a single long trajectory.
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Mutation in myosin heavy chain 6 causes atrial septal defect.
Yung-Hao Ching,Tushar K. Ghosh,Steve J. Cross,Elizabeth A. Packham,Louise Honeyman,Siobhan Loughna,Thelma E. Robinson,Andrew M. Dearlove,Gloria Ribas,Andrew J. Bonser,Neil R. Thomas,Andrew J. Scotter,Leo S. D. Caves,Graham P. Tyrrell,Ruth Newbury-Ecob,Arnold Munnich,Damien Bonnet,J. David Brook +17 more
TL;DR: Morpholino knock-down of expression of the chick MYH6 homolog eliminates the formation of the atrial septum without overtly affecting atrial chamber formation, providing evidence for a link between a transcription factor, a structural protein and congenital heart disease.
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Understanding the mechanism of ice binding by type III antifreeze proteins.
Alfred A. Antson,Derek Smith,David I. Roper,Sally J. Lewis,Leo S. D. Caves,Chandra S. Verma,Sarah L. Buckley,Peter J. Lillford,Roderick E. Hubbard +8 more
TL;DR: In this paper, a high-resolution X-ray structure of type III antifreeze proteins (AFPs) was refined at 1.15 A resolution with individual anisotropic temperature factors.