Journal of Structural Biology · 2019 · 11 citations · 65 references
Life SciencesBiochemistryMolecular BiologyEnzymologyStructural BiochemistryStructural BiologyEnzyme InhibitionProtein StructureProtein Structure ModelingStructural EnzymologyDisulfide Bond StructureEnzyme Conformational DynamicsInhibitor Complex ModelingMacromolecular Complex FormationN-terminal Region StructureProtease Inhibitor InteractionsProtease InhibitorsProtein Complex Structure Analysis
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Canonical sampling through velocity rescaling
Giovanni Bussi, Davide Donadio, Michele Parrinello · The Journal of Chemical Physics · 2007 · 18.4K citations · Full text
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LINCS: A linear constraint solver for molecular simulations
Berk Hess, Henk Bekker, Herman J. C. Berendsen et al. · Journal of Computational Chemistry · 1997 · 17.1K citations
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