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BMC Bioinformatics|June 27, 2013
Automatic workflow for the classification of local DNA conformationsPetr Čech, Jaromír Kukal, Jiří Černý, et al.Physical Chemistry Chemical Physics : PCCP|June 23, 2012
Understanding the role of base stacking in nucleic acids. MD and QM analysis of tandem GA base pairs in RNA duplexesClaudio A Morgado, Daniel Svozil, Douglas H Turner, et al.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.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.Pageof 5