CAVER: a new tool to explore routes from protein clefts, pockets and cavities
Petrek, Martin, Otyepka, Michal, Banás, Pavel, Kosinová, Pavlína, Koca, Jaroslav, Damborský, Jirí
Published in BMC bioinformatics (22.06.2006)
Published in BMC bioinformatics (22.06.2006)
Get full text
Journal Article
Uncovering of cytochrome P450 anatomy by SecStrAnnotator
Midlik, Adam, Navrátilová, Veronika, Moturu, Taraka Ramji, Koča, Jaroslav, Svobodová, Radka, Berka, Karel
Published in Scientific reports (11.06.2021)
Published in Scientific reports (11.06.2021)
Get full text
Journal Article
Optimized SQE atomic charges for peptides accessible via a web application
Schindler, Ondřej, Raček, Tomáš, Maršavelski, Aleksandra, Koča, Jaroslav, Berka, Karel, Svobodová, Radka
Published in Journal of cheminformatics (30.06.2021)
Published in Journal of cheminformatics (30.06.2021)
Get full text
Journal Article
Mol Viewer: modern web app for 3D visualization and analysis of large biomolecular structures
Sehnal, David, Bittrich, Sebastian, Deshpande, Mandar, Svobodová, Radka, Berka, Karel, Bazgier, Václav, Velankar, Sameer, Burley, Stephen K, Koča, Jaroslav, Rose, Alexander S
Published in Nucleic acids research (06.05.2021)
Published in Nucleic acids research (06.05.2021)
Get full text
Journal Article
Selectins-The Two Dr. Jekyll and Mr. Hyde Faces of Adhesion Molecules-A Review
Tvaroška, Igor, Selvaraj, Chandrabose, Koča, Jaroslav
Published in Molecules (Basel, Switzerland) (19.06.2020)
Published in Molecules (Basel, Switzerland) (19.06.2020)
Get full text
Journal Article
MOLEonline: a web-based tool for analyzing channels, tunnels and pores (2018 update)
Pravda, Lukáš, Sehnal, David, Toušek, Dominik, Navrátilová, Veronika, Bazgier, Václav, Berka, Karel, Svobodová Vařeková, Radka, Koča, Jaroslav, Otyepka, Michal
Published in Nucleic acids research (02.07.2018)
Published in Nucleic acids research (02.07.2018)
Get full text
Journal Article
The Eighth Central European Conference "Chemistry towards Biology": Snapshot
Perczel, András, Atanasov, Atanas G, Sklenář, Vladimír, Nováček, Jiří, Papoušková, Veronika, Kadeřávek, Pavel, Žídek, Lukáš, Kozłowski, Henryk, Wątły, Joanna, Hecel, Aleksandra, Kołkowska, Paulina, Koča, Jaroslav, Svobodová-Vařeková, Radka, Pravda, Lukáš, Sehnal, David, Horský, Vladimír, Geidl, Stanislav, Enriz, Ricardo D, Matějka, Pavel, Jeništová, Adéla, Dendisová, Marcela, Kokaislová, Alžběta, Weissig, Volkmar, Olsen, Mark, Coffey, Aidan, Ajuebor, Jude, Keary, Ruth, Sanz-Gaitero, Marta, van Raaij, Mark J, McAuliffe, Olivia, Waltenberger, Birgit, Mocan, Andrei, Šmejkal, Karel, Heiss, Elke H, Diederich, Marc, Musioł, Robert, Košmrlj, Janez, Polański, Jarosław, Jampílek, Josef
Published in Molecules (Basel, Switzerland) (17.10.2016)
Published in Molecules (Basel, Switzerland) (17.10.2016)
Get full text
Journal Article
Conference Proceeding
LiteMol suite: interactive web-based visualization of large-scale macromolecular structure data
Sehnal, David, Deshpande, Mandar, Vařeková, Radka Svobodová, Mir, Saqib, Berka, Karel, Midlik, Adam, Pravda, Lukáš, Velankar, Sameer, Koča, Jaroslav
Published in Nature methods (01.12.2017)
Published in Nature methods (01.12.2017)
Get full text
Journal Article
Automated Training of ReaxFF Reactive Force Fields for Energetics of Enzymatic Reactions
Trnka, Tomáš, Tvaroška, Igor, Koča, Jaroslav
Published in Journal of chemical theory and computation (09.01.2018)
Published in Journal of chemical theory and computation (09.01.2018)
Get full text
Journal Article
Ion Binding to Quadruplex DNA Stems. Comparison of MM and QM Descriptions Reveals Sizable Polarization Effects Not Included in Contemporary Simulations
Gkionis, Konstantinos, Kruse, Holger, Platts, James A, Mládek, Arnošt, Koča, Jaroslav, Šponer, Jiří
Published in Journal of chemical theory and computation (11.03.2014)
Published in Journal of chemical theory and computation (11.03.2014)
Get full text
Journal Article
Reference Simulations of Noncanonical Nucleic Acids with Different χ Variants of the AMBER Force Field: Quadruplex DNA, Quadruplex RNA, and Z-DNA
Krepl, Miroslav, Zgarbová, Marie, Stadlbauer, Petr, Otyepka, Michal, Banáš, Pavel, Koča, Jaroslav, Cheatham, Thomas E, Jurečka, Petr, Šponer, Jiří
Published in Journal of chemical theory and computation (10.07.2012)
Published in Journal of chemical theory and computation (10.07.2012)
Get full text
Journal Article
Structures and mechanisms of glycosyltransferases
Breton, Christelle, Šnajdrová, Lenka, Jeanneau, Charlotte, Koča, Jaroslav, Imberty, Anne
Published in Glycobiology (Oxford) (01.02.2006)
Published in Glycobiology (Oxford) (01.02.2006)
Get full text
Journal Article
A Novel Mechanism of Proton Transfer in Protonated Peptides
Kulhánek, Petr, Schlag, Edward W, Koča, Jaroslav
Published in Journal of the American Chemical Society (12.11.2003)
Published in Journal of the American Chemical Society (12.11.2003)
Get full text
Journal Article
Pan-selectin inhibitors as potential therapeutics for COVID-19 treatment: in silico screening study
Šmak, Pavel, Chandrabose, Selvaraj, Tvaroška, Igor, Koča, Jaroslav
Published in Glycobiology (09.09.2021)
Published in Glycobiology (09.09.2021)
Get full text
Journal Article
Web Resource
The catalytic reaction mechanism of tyrosylprotein sulfotransferase-1
Šmak, Pavel, Tvaroška, Igor, Ko a, Jaroslav
Published in Physical chemistry chemical physics : PCCP (27.10.2021)
Published in Physical chemistry chemical physics : PCCP (27.10.2021)
Get full text
Journal Article