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Daniel Svozil

Showing results (21-30 of 42) with videos related to

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Physical Chemistry Chemical Physics : PCCP|March 26, 2010
Reference MP2/CBS and CCSD(T) quantum-chemical calculations on stacked adenine dimers. Comparison with DFT-D, MP2.5, SCS(MI)-MP2, M06-2X, CBS(SCS-D) and force field descriptionsClaudio A Morgado, Petr Jurecka, Daniel Svozil, et al.
Journal of Chemical Theory and Computation|November 27, 2015
Balance of Attraction and Repulsion in Nucleic-Acid Base Stacking: CCSD(T)/Complete-Basis-Set-Limit Calculations on Uracil Dimer and a Comparison with the Force-Field DescriptionClaudio A Morgado, Petr Jurečka, Daniel Svozil, et al.
Journal of Chemical Information and Modeling|August 8, 2017
FAME 2: Simple and Effective Machine Learning Model of Cytochrome P450 RegioselectivityMartin Šícho, Christina de Bruyn Kops, Conrad Stork, et al.
Acta Crystallographica. Section D, Structural Biology|January 27, 2018
A DNA structural alphabet provides new insight into DNA flexibilityBohdan Schneider, Paulína Boǽíková, Iva Nečasová, et al.
Drug Testing and Analysis|July 18, 2020
New psychoactive substances on dark web markets: From deal solicitation to forensic analysis of purchased substancesBronislav Jurásek, Ivan Čmelo, Jan Svoboda, et al.
The Journal of Physical Chemistry. B|August 9, 2008
General base catalysis for cleavage by the active-site cytosine of the hepatitis delta virus ribozyme: QM/MM calculations establish chemical feasibilityPavel Banás, Lubomír Rulísek, Veronika Hánosová, et al.
Nucleic Acids Research|December 17, 2013
Bioinformatic analysis of the protein/DNA interfaceBohdan Schneider, Jirí Cerný, Daniel Svozil, et al.
Frontiers in Chemistry|June 29, 2019
GLORY: Generator of the Structures of Likely Cytochrome P450 Metabolites Based on Predicted Sites of MetabolismChristina de Bruyn Kops, Conrad Stork, Martin Šícho, et al.
Bioinformatics (Oxford, England)|February 21, 2020
NERDD: a web portal providing access to in silico tools for drug discoveryConrad Stork, Gerd Embruch, Martin Šícho, et al.
Biophysical Journal|March 14, 2007
Refinement of the AMBER force field for nucleic acids: improving the description of alpha/gamma conformersAlberto Pérez, Iván Marchán, Daniel Svozil, et al.
Pageof 5

Showing results (21-30 of 42) with videos related to

Sort By:
Pageof 5
Physical Chemistry Chemical Physics : PCCP|March 26, 2010
Reference MP2/CBS and CCSD(T) quantum-chemical calculations on stacked adenine dimers. Comparison with DFT-D, MP2.5, SCS(MI)-MP2, M06-2X, CBS(SCS-D) and force field descriptionsClaudio A Morgado, Petr Jurecka, Daniel Svozil, et al.
Journal of Chemical Theory and Computation|November 27, 2015
Balance of Attraction and Repulsion in Nucleic-Acid Base Stacking: CCSD(T)/Complete-Basis-Set-Limit Calculations on Uracil Dimer and a Comparison with the Force-Field DescriptionClaudio A Morgado, Petr Jurečka, Daniel Svozil, et al.
Journal of Chemical Information and Modeling|August 8, 2017
FAME 2: Simple and Effective Machine Learning Model of Cytochrome P450 RegioselectivityMartin Šícho, Christina de Bruyn Kops, Conrad Stork, et al.
Acta Crystallographica. Section D, Structural Biology|January 27, 2018
A DNA structural alphabet provides new insight into DNA flexibilityBohdan Schneider, Paulína Boǽíková, Iva Nečasová, et al.
Drug Testing and Analysis|July 18, 2020
New psychoactive substances on dark web markets: From deal solicitation to forensic analysis of purchased substancesBronislav Jurásek, Ivan Čmelo, Jan Svoboda, et al.
The Journal of Physical Chemistry. B|August 9, 2008
General base catalysis for cleavage by the active-site cytosine of the hepatitis delta virus ribozyme: QM/MM calculations establish chemical feasibilityPavel Banás, Lubomír Rulísek, Veronika Hánosová, et al.
Nucleic Acids Research|December 17, 2013
Bioinformatic analysis of the protein/DNA interfaceBohdan Schneider, Jirí Cerný, Daniel Svozil, et al.
Frontiers in Chemistry|June 29, 2019
GLORY: Generator of the Structures of Likely Cytochrome P450 Metabolites Based on Predicted Sites of MetabolismChristina de Bruyn Kops, Conrad Stork, Martin Šícho, et al.
Bioinformatics (Oxford, England)|February 21, 2020
NERDD: a web portal providing access to in silico tools for drug discoveryConrad Stork, Gerd Embruch, Martin Šícho, et al.
Biophysical Journal|March 14, 2007
Refinement of the AMBER force field for nucleic acids: improving the description of alpha/gamma conformersAlberto Pérez, Iván Marchán, Daniel Svozil, et al.
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