Functional flexibility of human cyclin-dependent kinase-2 and its evolutionary conservation

Por Bártová, Iveta, Koča, Jaroslav, Otyepka, Michal
Publicado em 2008

Virtual screening and in silico design of novel inhibitors of bacterial lectins

Por Alán, Jan, Kulhánek, Petr, Koča, Jaroslav
Publicado em 2012

Elastic properties of ribosomal RNA building blocks: molecular dynamics of the GTPase-associated center rRNA

Por Rázga, Filip, Koča, Jaroslav, Mokdad, Ali, Šponer, Jiří
Publicado em 2007

Activation and inhibition of cyclin-dependent kinase-2 by phosphorylation; a molecular dynamics study reveals the functional importance of the glycine-rich loop

Por Bártová, Iveta, Otyepka, Michal, Kříž, Zdeněk, Koča, Jaroslav
Publicado em 2004

How Ionic Strength Affects the Conformational Behavior of Human and Rat Beta Amyloids – A Computational Study

Por Kříž, Zdeněk, Klusák, Jiří, Krištofíková, Zdena, Koča, Jaroslav
Publicado em 2013

Stepwise Catalytic Mechanism via Short-Lived Intermediate Inferred from Combined QM/MM MERP and PES Calculations on Retaining Glycosyltransferase ppGalNAcT2

Por Trnka, Tomáš, Kozmon, Stanislav, Tvaroška, Igor, Koča, Jaroslav
Publicado no PLoS Comput Biol (2015)

Hinge-Like Motions in RNA Kink-Turns: The Role of the Second A-Minor Motif and Nominally Unpaired Bases

Por Rázga, Filip, Koča, Jaroslav, Šponer, Jiří, Leontis, Neocles B.
Publicado em 2005

The mechanism of inhibition of the cyclin-dependent kinase-2 as revealed by the molecular dynamics study on the complex CDK2 with the peptide substrate HHASPRK

Por Bártová, Iveta, Otyepka, Michal, KřÍž, Zdeněk, Koča, Jaroslav
Publicado em 2005

TRITON: a graphical tool for ligand-binding protein engineering

Por Prokop, Martin, Adam, Jan, Kříž, Zdeněk, Wimmerová, Michaela, Koča, Jaroslav
Publicado em 2008

QM quality atomic charges for proteins

Por Geidl, Stanislav, Ionescu, Crina-Maria, Vařeková, Radka Svobodová, Koča, Jaroslav
Publicado em 2014

Electronegativity Equalization Method: Parameterization and Validation for Large Sets of Organic, Organohalogene and Organometal Molecule

Por Vařeková, Radka Svobodová, Jiroušková, Zuzana, Vaněk, Jakub, Suchomel, Šimon, Koča, Jaroslav
Publicado em 2007

Structural dynamics of possible late-stage intermediates in folding of quadruplex DNA studied by molecular simulations

Por Stadlbauer, Petr, Krepl, Miroslav, Cheatham, Thomas E., Koča, Jaroslav, Šponer, Jiří
Publicado em 2013

CAVER: a new tool to explore routes from protein clefts, pockets and cavities

Por Koča Jaroslav, Košinová Pavlína, Banáš Pavel, Otyepka Michal, Petřek Martin, Damborský Jiří
Publicado em 2006-06-01

Molecular dynamics simulations of RNA kissing–loop motifs reveal structural dynamics and formation of cation-binding pockets

Por Réblová, Kamila, Špačková, Nad'a, Šponer, Judit E., Koča, Jaroslav, Šponer, Jiří
Publicado em 2003

Long-Residency Hydration, Cation Binding, and Dynamics of Loop E/Helix IV rRNA-L25 Protein Complex

Por Réblová, Kamila, Špačková, Nad'a, Koča, Jaroslav, Leontis, Neocles B., Šponer, Jiří
Publicado em 2004

CAVER: a new tool to explore routes from protein clefts, pockets and cavities

Por Petřek, Martin, Otyepka, Michal, Banáš, Pavel, Košinová, Pavlína, Koča, Jaroslav, Damborský, Jiří
Publicado em 2006

Searching for tunnels of proteins – comparison of approaches and available software tools

Por Jaiswal, Deepti, Vařeková, Radka Svobodová, Ionescu, Crina-Maria, Sehnal, David, Koča, Jaroslav
Publicado em 2012

Nemesis - a molecular modeling package

Por Štěpán, Jakub, Kulhánek, Petr, Lenčo, Milan, Střelcová, Zora, Křenek, Aleš, Koča, Jaroslav
Publicado em 2013

Consistency of sugar structures and their annotation in the PDB

Por Jaiswal, Deepti, Sehnal, David, Vařeková, Radka Svobodová, Ionescu, Crina-Maria, Koča, Jaroslav
Publicado em 2014

PatternQuery: web application for fast detection of biomacromolecular structural patterns in the entire Protein Data Bank

Por Sehnal, David, Pravda, Lukáš, Svobodová Vařeková, Radka, Ionescu, Crina-Maria, Koča, Jaroslav
Publicado no Nucleic Acids Res (2015)