Zobrazeno 1 - 10
of 28
pro vyhledávání: '"Stanislav Geidl"'
Autor:
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
Publikováno v:
Molecules, Vol 21, Iss 10, p 1381 (2016)
The Eighth Central European Conference “Chemistry towards Biology” was held in Brno, Czech Republic, on August 28–September 1, 2016 to bring together experts in biology, chemistry and design of bioactive compounds; promote the exchange of scien
Externí odkaz:
https://doaj.org/article/3da4107db6eb446cb4b24cd5e31b819b
Autor:
Stanislav Geidl, Michaela Wimmerová, Jaroslav Koča, Radka Svobodová Vařeková, Lukáš Pravda, Deepti Jaiswal, David Sehnal, Crina-Maria Ionescu, Vladimír Horský
Publikováno v:
Nucleic Acids Research
Following the discovery of serious errors in the structure of biomacromolecules, structure validation has become a key topic of research, especially for ligands and non-standard residues. ValidatorDB (freely available at http://ncbr.muni.cz/Validator
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::26a5eaee32f452866817116b3e92baea
https://doi.org/10.1093/nar/gku1118
https://doi.org/10.1093/nar/gku1118
Autor:
Jaroslav Koča, Radka Svobodová Vařeková, Lukáš Pravda, Karel Berka, Stanislav Geidl, David Sehnal, Michal Otyepka
The book describes the individual steps necessary for biomacromolecular fragments analysis, as well as a list of essential software tools. For each step, it also shows corresponding web-based tools in detail and provides practical examples of their u
Autor:
Václav Hejret, Stanislav Geidl, Radka Svobodová Vařeková, Aleš Křenek, Tomáš Raček, Francesco Luca Falginella, Vladimír Horský, Jana Pazúriková, Jaroslav Koča
Publikováno v:
Journal of Cheminformatics
Background The concept of partial atomic charges was first applied in physical and organic chemistry and was later also adopted in computational chemistry, bioinformatics and chemoinformatics. The electronegativity equalization method (EEM) is the mo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3f1ca24509f59a4eb33d942b48324380
https://doi.org/10.1186/s13321-016-0171-1
https://doi.org/10.1186/s13321-016-0171-1
Autor:
Karel Berka, Jaroslav Koča, Michal Otyepka, David Sehnal, Lukáš Pravda, Stanislav Geidl, Radka Svobodová Vařeková
Publikováno v:
SpringerBriefs in Biochemistry and Molecular Biology ISBN: 9783319473871
This chapter introduces tools for the detection and extraction of biomacromolecular fragments (patterns) of interest from biomacromolecular structures. Afterwards, PatternQuery, a query language for the rigorous detection of user-defined patterns, is
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d8163358089c44583ef7ddc6838c192b
https://doi.org/10.1007/978-3-319-47388-8_5
https://doi.org/10.1007/978-3-319-47388-8_5
Autor:
Jaroslav Koča, Michal Otyepka, Stanislav Geidl, Karel Berka, David Sehnal, Radka Svobodová Vařeková, Lukáš Pravda
Publikováno v:
SpringerBriefs in Biochemistry and Molecular Biology ISBN: 9783319473871
Partial atomic charges provide information about the distribution of electron density within a molecule. Specifically, they reflect the amount of electron density attributed to individual atoms. Information about partial atomic charges is therefore v
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::951cba92c30568eac9e9d280f81944c7
https://doi.org/10.1007/978-3-319-47388-8_7
https://doi.org/10.1007/978-3-319-47388-8_7
Autor:
Jaroslav Koča, Radka Svobodová Vařeková, Lukáš Pravda, Karel Berka, Stanislav Geidl, David Sehnal, Michal Otyepka
Publikováno v:
SpringerBriefs in Biochemistry and Molecular Biology ISBN: 9783319473871
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e72ff13999e6e2ab41fb598bae1f2389
https://doi.org/10.1007/978-3-319-47388-8_11
https://doi.org/10.1007/978-3-319-47388-8_11
Autor:
Karel Berka, David Sehnal, Lukáš Pravda, Stanislav Geidl, Radka Svobodová Vařeková, Jaroslav Koča, Michal Otyepka
Publikováno v:
SpringerBriefs in Biochemistry and Molecular Biology ISBN: 9783319473871
Structural Bioinformatics Tools for Drug Design
Structural Bioinformatics Tools for Drug Design
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::83b8a6d6e379fe59f80cd1ef3adae77e
https://doi.org/10.1007/978-3-319-47388-8
https://doi.org/10.1007/978-3-319-47388-8
Autor:
David Sehnal, Karel Berka, Lukáš Pravda, Jaroslav Koča, Michal Otyepka, Stanislav Geidl, Radka Svobodová Vařeková
Publikováno v:
SpringerBriefs in Biochemistry and Molecular Biology ISBN: 9783319473871
Channels are ligand-accessible pathways inside a biomacromolecular structure. These empty voids inside a structure are composed of the surrounding residues, and as such can be viewed as a form of pattern. Importantly, they create a specific physicoch
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a05018f9c9687e683b87f0654836b5e2
https://doi.org/10.1007/978-3-319-47388-8_6
https://doi.org/10.1007/978-3-319-47388-8_6
Autor:
Karel Berka, David Sehnal, Lukáš Pravda, Jaroslav Koča, Michal Otyepka, Radka Svobodová Vařeková, Stanislav Geidl
Publikováno v:
SpringerBriefs in Biochemistry and Molecular Biology ISBN: 9783319473871
Nowadays life sciences are filled with data gathered from many sources and these biological data are stored in many databases. Analysis of data gathered within these databases enables new view on the life from many aspects. This chapter describes sev
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2f63c397b16dc132c96c5e09be32faf5
https://doi.org/10.1007/978-3-319-47388-8_3
https://doi.org/10.1007/978-3-319-47388-8_3