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Jan Rezáč

Showing results (1-10 of 10) with videos related to

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Journal of Molecular Modeling|January 9, 2013
Competition between halogen, dihalogen and hydrogen bonds in bromo- and iodomethanol dimersKevin E Riley, Jan Rezáč, Pavel Hobza
Journal of Chemical Theory and Computation|August 13, 2011
S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular StructuresJan Rezáč, Kevin E Riley, Pavel Hobza
Journal of Computational Chemistry|December 17, 2011
Evaluation of the performance of post-Hartree-Fock methods in terms of intermolecular distance in noncovalent complexesJan Rezáč, Kevin E Riley, Pavel Hobza
Journal of Computer-Aided Molecular Design|February 3, 2011
Transferable scoring function based on semiempirical quantum mechanical PM6-DH2 method: CDK2 with 15 structurally diverse inhibitorsPetr Dobeš, Jindřich Fanfrlík, Jan Rezáč, et al.
Journal of Chemical Theory and Computation|October 8, 2013
The accuracy of quantum chemical methods for large noncovalent complexesRobert Sedlak, Tomasz Janowski, Michal Pitoňák, et al.
Physical Chemistry Chemical Physics : PCCP|March 22, 2012
Quantum effects in biological electron transferAurélien de la Lande, Nathan S Babcock, Jan Rezáč, et al.
Journal of Molecular Modeling|May 31, 2012
Halogen bond tunability II: the varying roles of electrostatic and dispersion contributions to attraction in halogen bondsKevin E Riley, Jane S Murray, Jindřich Fanfrlík, et al.
Journal of Molecular Modeling|March 4, 2011
Halogen bond tunability I: the effects of aromatic fluorine substitution on the strengths of halogen-bonding interactions involving chlorine, bromine, and iodineKevin E Riley, Jane S Murray, Jindřich Fanfrlík, et al.
European Journal of Medicinal Chemistry|December 3, 2014
Malonate-based inhibitors of mammalian serine racemase: kinetic characterization and structure-based computational studyBarbora Vorlová, Dana Nachtigallová, Jana Jirásková-Vaníčková, et al.
ACS Chemical Biology|August 31, 2013
Modulation of aldose reductase inhibition by halogen bond tuningJindřich Fanfrlík, Michal Kolář, Martin Kamlar, et al.
Pageof 1

Showing results (1-10 of 10) with videos related to

Sort By:
Pageof 1
Journal of Molecular Modeling|January 9, 2013
Competition between halogen, dihalogen and hydrogen bonds in bromo- and iodomethanol dimersKevin E Riley, Jan Rezáč, Pavel Hobza
Journal of Chemical Theory and Computation|August 13, 2011
S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular StructuresJan Rezáč, Kevin E Riley, Pavel Hobza
Journal of Computational Chemistry|December 17, 2011
Evaluation of the performance of post-Hartree-Fock methods in terms of intermolecular distance in noncovalent complexesJan Rezáč, Kevin E Riley, Pavel Hobza
Journal of Computer-Aided Molecular Design|February 3, 2011
Transferable scoring function based on semiempirical quantum mechanical PM6-DH2 method: CDK2 with 15 structurally diverse inhibitorsPetr Dobeš, Jindřich Fanfrlík, Jan Rezáč, et al.
Journal of Chemical Theory and Computation|October 8, 2013
The accuracy of quantum chemical methods for large noncovalent complexesRobert Sedlak, Tomasz Janowski, Michal Pitoňák, et al.
Physical Chemistry Chemical Physics : PCCP|March 22, 2012
Quantum effects in biological electron transferAurélien de la Lande, Nathan S Babcock, Jan Rezáč, et al.
Journal of Molecular Modeling|May 31, 2012
Halogen bond tunability II: the varying roles of electrostatic and dispersion contributions to attraction in halogen bondsKevin E Riley, Jane S Murray, Jindřich Fanfrlík, et al.
Journal of Molecular Modeling|March 4, 2011
Halogen bond tunability I: the effects of aromatic fluorine substitution on the strengths of halogen-bonding interactions involving chlorine, bromine, and iodineKevin E Riley, Jane S Murray, Jindřich Fanfrlík, et al.
European Journal of Medicinal Chemistry|December 3, 2014
Malonate-based inhibitors of mammalian serine racemase: kinetic characterization and structure-based computational studyBarbora Vorlová, Dana Nachtigallová, Jana Jirásková-Vaníčková, et al.
ACS Chemical Biology|August 31, 2013
Modulation of aldose reductase inhibition by halogen bond tuningJindřich Fanfrlík, Michal Kolář, Martin Kamlar, et al.
Pageof 1