PDBeCIF: an open-source mmCIF/CIF parsing and processing package

Authors: Glen van Ginkel, Lukáš Pravda, José M. Dana, Mihaly Varadi, Peter Keller, Stephen Anyango, Sameer Velankar

Source: BMC Bioinformatics, Vol 22, Iss 1, Pp 1-7 (2021)

Subject Terms: Software, Parser, PDB, PDBx/mmCIF, Protein structure, CCD, Computer applications to medicine. Medical informatics, R858-859.7, Biology (General), QH301-705.5

File Description: electronic resource

Relation: https://doaj.org/toc/1471-2105

Access URL: https://doaj.org/article/7daf5eadd7f44940a4326a9042c318b1

The Eighth Central European Conference 'Chemistry towards Biology': Snapshot

Authors: 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

Source: Molecules, Vol 21, Iss 10, p 1381 (2016)

Subject Terms: drug design, targeting, chemical biology, biological chemistry, proteins and nucleic acids, natural compounds, synthesis, biomaterials, nanoparticles, ADME, drug delivery systems, Organic chemistry, QD241-441

File Description: electronic resource

Relation: http://www.mdpi.com/1420-3049/21/10/1381; https://doaj.org/toc/1420-3049

Access URL: https://doaj.org/article/3da4107db6eb446cb4b24cd5e31b819b

The Eighth Central European Conference 'Chemistry towards Biology': Snapshot

Authors: András Perczel (Laboratory of Structural Chemistry and Biology and MTA-ELTE Protein Modeling Research Group at the Institute of Chemistry, Eötvös Loránd University), Atanas Atanasov (Department of Pharmacognosy, Faculty of Life Sciences, University of Vienna), Vladimír Sklenář (Central European Institute of Technology, Masaryk University), Jiří Nováček (Central European Institute of Technology, Masaryk University), Veronika Papoušková (Central European Institute of Technology, Masaryk University), Pavel Kadeřávek (Central European Institute of Technology, Masaryk University), Lukáš Žídek (Central European Institute of Technology, Masaryk University), Henryk Kozłowski (Department of Biological Chemistry, Faculty of Chemistry, University of Wroclaw), Joanna Wątły (Department of Biological Chemistry, Faculty of Chemistry, University of Wroclaw), Aleksandra Hecel (Department of Biological Chemistry, Faculty of Chemistry, University of Wroclaw), Paulina Kołkowska (Department of Biological Chemistry, Faculty of Chemistry, University of Wroclaw), Jaroslav Koča (Central European Institute of Technology, Masaryk University), Radka Svobodová-Vařeková (Central European Institute of Technology, Masaryk University), Lukáš Pravda (Central European Institute of Technology, Masaryk University), David Sehnal (Central European Institute of Technology, Masaryk University), Vladimír Horský (Central European Institute of Technology, Masaryk University), Stanislav Geidl (Central European Institute of Technology, Masaryk University), Ricardo Enriz (Facultad de Química, Bioquímica y Farmacia, Universidad Nacional de San Luis), Pavel Matějka (Department of Physical Chemistry, Faculty of Chemical Engineering, University of Chemistry and Technology, Prague), Adéla Jeništová (Department of Physical Chemistry, Faculty of Chemical Engineering, University of Chemistry and Technology, Prague), Marcela Dendisová (Department of Physical Chemistry, Faculty of Chemical Engineering, University of Chemistry and Technology, Prague), Alžběta Kokaislová (Department of Physical Chemistry, Faculty of Chemical Engineering, University of Chemistry and Technology, Prague), Volkmar Weissig (Department of Medical Chemistry, College of Pharmacy Glendale, Midwestern University), Mark Olsen (Department of Medical Chemistry, College of Pharmacy Glendale, Midwestern University), Aidan Coffey (Department of Biological Sciences, Cork Institute of Technology), Jude Ajuebor (Department of Biological Sciences, Cork Institute of Technology), Ruth Keary (Department of Biological Sciences, Cork Institute of Technology), Marta Sanz-Gaitero (Departamento de Estructura de Macromoleculas, Centro Nacional de Biotecnologia, Spain), Mark van Raaij (Departamento de Estructura de Macromoleculas, Centro Nacional de Biotecnologia, Spain), Olivia McAuliffe (Biotechnology Department, Teagasc, Moorepark Food Research Centre), Birgit Waltenberger (Department of Pharmacognosy, Institute of Pharmacy, University of Innsbruck), Andrei Mocan (Department of Pharmaceutical Botany, Iuliu Hațieganu University of Medicine and Pharmacy), Karel Šmejkal (Department of Natural Drugs, Faculty of Pharmacy, University of Veterinary and Pharmaceutical Sciences Brno), Elke Heiss (Department of Pharmacognosy, Faculty of Life Sciences, University of Vienna), Marc Diederich (Department of Pharmacy, College of Pharmacy, Seoul National University), Robert Musioł (Institute of Chemistry, University of Silesia), Janez Košmrlj (Faculty of Chemistry and Chemical Technology, University of Ljubljana), Jarosław Polański (Institute of Chemistry, University of Silesia), Josef Jampílek (Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Comenius University)

Availability: http://data.europeana.eu/aggregation/europeana/1300/https___phaidra_univie_ac_at_o_533928

PDBe CCDUtils: an RDKit-based toolkit for handling and analysing small molecules in the Protein Data Bank

Authors: Ibrahim Roshan Kunnakkattu, Preeti Choudhary, Lukas Pravda, Nurul Nadzirin, Oliver S. Smart, Qi Yuan, Stephen Anyango, Sreenath Nair, Mihaly Varadi, Sameer Velankar

Source: Journal of Cheminformatics, Vol 15, Iss 1, Pp 1-11 (2023)

Subject Terms: PDB, RDKit, Ligand, Protein structure, Python, CCD, Information technology, T58.5-58.64, Chemistry, QD1-999

File Description: electronic resource

Relation: https://doaj.org/toc/1758-2946

Access URL: https://doaj.org/article/7838307f755a49408678c077b01f6d64

The Diversity of Yellow-Related Proteins in Sand Flies (Diptera: Psychodidae).

Authors: Michal Sima, Marian Novotny, Lukas Pravda, Petra Sumova, Iva Rohousova, Petr Volf

Source: PLoS ONE, Vol 11, Iss 11, p e0166191 (2016)

Subject Terms: Medicine, Science

File Description: electronic resource

Relation: http://europepmc.org/articles/PMC5094789?pdf=render; https://doaj.org/toc/1932-6203

Access URL: https://doaj.org/article/0e14ab94d4ac4bedb9fe6a733c9b2a7b