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JCC
2007
56views more  JCC 2007»
13 years 6 months ago
Molecular structures of the two most stable conformers of free glycine
Veronika Kasalová, Wesley D. Allen, Henry F...
BMCBI
2007
102views more  BMCBI 2007»
13 years 6 months ago
FlexOracle: predicting flexible hinges by identification of stable domains
Background: Protein motions play an essential role in catalysis and protein-ligand interactions, but are difficult to observe directly. A substantial fraction of protein motions i...
Samuel Flores, Mark Gerstein
JCC
2008
114views more  JCC 2008»
13 years 6 months ago
Molecular simulation of multistate peptide dynamics: A comparison between microsecond timescale sampling and multiple shorter tr
Abstract: Molecular dynamics simulations of the RN24 peptide, which includes a diverse set of structurally heterogeneous states, are carried out in explicit solvent. Two approaches...
Luca Monticelli, Eric J. Sorin, D. Peter Tieleman,...
BMCBI
2010
161views more  BMCBI 2010»
13 years 7 months ago
FRASS: the web-server for RNA structural comparison
Background: The impressive increase of novel RNA structures, during the past few years, demands automated methods for structure comparison. While many algorithms handle only small...
Svetlana Kirillova, Silvio C. E. Tosatto, Oliviero...