Selectins—The Two Dr. Jekyll and Mr. Hyde Faces of Adhesion Molecules—A Review

by Igor Tvaroška, Chandrabose Selvaraj, Jaroslav Koča
Published 2020-06-01

How ionic strength affects the conformational behavior of human and rat beta amyloids--a computational study.

by Zdeněk Kříž, Jiří Klusák, Zdena Krištofíková, Jaroslav Koča
Published 2013-01-01

Stepwise catalytic mechanism via short-lived intermediate inferred from combined QM/MM MERP and PES calculations on retaining glycosyltransferase ppGalNAcT2.

by Tomáš Trnka, Stanislav Kozmon, Igor Tvaroška, Jaroslav Koča
Published 2015-04-01

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

by Jaroslav Koca, Simon Suchomel, Jakub Vanek, Zuzanna Jirouskova, Radka Svobodova Varekova
Published 2007-07-01

Optimized SQE atomic charges for peptides accessible via a web application

by Ondřej Schindler, Tomáš Raček, Aleksandra Maršavelski, Jaroslav Koča, Karel Berka, Radka Svobodová
Published 2021-06-01

Correction to: Optimized SQE atomic charges for peptides accessible via a web application

by Ondřej Schindler, Tomáš Raček, Aleksandra Maršavelski, Jaroslav Koča, Karel Berka, Radka Svobodová
Published 2021-07-01

Stacking interactions between carbohydrate and protein quantified by combination of theoretical and experimental methods.

by Michaela Wimmerová, Stanislav Kozmon, Ivona Nečasová, Sushil Kumar Mishra, Jan Komárek, Jaroslav Koča
Published 2012-01-01

Uncovering of cytochrome P450 anatomy by SecStrAnnotator

by Adam Midlik, Veronika Navrátilová, Taraka Ramji Moturu, Jaroslav Koča, Radka Svobodová, Karel Berka
Published 2021-06-01

Charge profile analysis reveals that activation of pro-apoptotic regulators Bax and Bak relies on charge transfer mediated allosteric regulation.

by Crina-Maria Ionescu, Radka Svobodová Vařeková, Jochen H M Prehn, Heinrich J Huber, Jaroslav Koča
Published 2012-01-01

BinaryCIF and CIFTools-Lightweight, efficient and extensible macromolecular data management.

by David Sehnal, Sebastian Bittrich, Sameer Velankar, Jaroslav Koča, Radka Svobodová, Stephen K Burley, Alexander S Rose
Published 2020-10-01

Influence of Trp flipping on carbohydrate binding in lectins. An example on Aleuria aurantia lectin AAL.

by Josef Houser, Stanislav Kozmon, Deepti Mishra, Sushil K Mishra, Patrick R Romano, Michaela Wimmerová, Jaroslav Koča
Published 2017-01-01

The Eighth Central European Conference “Chemistry towards Biology”: Snapshot

by András Perczel, Atanas G. Atanasov, Vladimír Sklenář, Jiří Nováček, Veronika Papoušková, Pavel Kadeřávek, Lukáš Žídek, Henryk Kozłowski, Joanna Wątły, Aleksandra Hecel, Paulina Kołkowska, Jaroslav Koča, Radka Svobodová-Vařeková, Lukáš Pravda, David Sehnal, Vladimír Horský, Stanislav Geidl, Ricardo D. Enriz, Pavel Matějka, Adéla Jeništová, Marcela Dendisová, Alžběta Kokaislová, Volkmar Weissig, Mark Olsen, Aidan Coffey, Jude Ajuebor, Ruth Keary, Marta Sanz-Gaitero, Mark J. van Raaij, Olivia McAuliffe, Birgit Waltenberger, Andrei Mocan, Karel Šmejkal, Elke H. Heiss, Marc Diederich, Robert Musioł, Janez Košmrlj, Jarosław Polański, Josef Jampílek
Published 2016-10-01