Acceleration of Molecular Simulations by Parametric Time-Lagged tSNE Metadynamics
Hradiská, Helena, Kurečka, Martin, Beránek, Jan, Tedeschi, Guglielmo, Višňovský, Vladimír, Křenek, Aleš, Spiwok, Vojtěch
Published in The journal of physical chemistry. B (01.02.2024)
Published in The journal of physical chemistry. B (01.02.2024)
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Journal Article
Property Map Collective Variable as a Useful Tool for a Force Field Correction
Trapl, Dalibor, Krupička, Martin, Višňovský, Vladimír, Hozzová, Jana, Ol’ha, Jaroslav, Křenek, Aleš, Spiwok, Vojtěch
Published in Journal of chemical information and modeling (14.02.2022)
Published in Journal of chemical information and modeling (14.02.2022)
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Journal Article
The EurOPDX Data Portal: an open platform for patient-derived cancer xenograft data sharing and visualization
Dudová, Zdenka, Conte, Nathalie, Mason, Jeremy, Stuchlík, Dalibor, Peša, Radim, Halmagyi, Csaba, Perova, Zinaida, Mosaku, Abayomi, Thorne, Ross, Follette, Alex, Pivarč, Ľuboslav, Šašinka, Radim, Usman, Muhammad, Neuhauser, Steven, Begley, Dale A, Krupke, Debra M, Frassà, Massimiliano, Fiori, Alessandro, Corsi, Riccardo, Vezzadini, Luca, Isella, Claudio, Bertotti, Andrea, Bult, Carol, Parkinson, Helen, Medico, Enzo, Meehan, Terrence, Křenek, Aleš
Published in BMC genomics (22.02.2022)
Published in BMC genomics (22.02.2022)
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Journal Article
A survey of the European Open Science Cloud services for expanding the capacity and capabilities of multidisciplinary scientific applications
Calatrava, Amanda, Asorey, Hernán, Astalos, Jan, Azevedo, Alberto, Benincasa, Francesco, Blanquer, Ignacio, Bobak, Martin, Brasileiro, Francisco, Codó, Laia, del Cano, Laura, Esteban, Borja, Ferret, Meritxell, Handl, Josef, Kerzenmacher, Tobias, Kozlov, Valentin, Křenek, Aleš, Martins, Ricardo, Pavesio, Manuel, Rubio-Montero, Antonio Juan, Sánchez-Ferrero, Juan
Published in Computer science review (01.08.2023)
Published in Computer science review (01.08.2023)
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Journal Article
High-quality and universal empirical atomic charges for chemoinformatics applications
Geidl, Stanislav, Bouchal, Tomáš, Raček, Tomáš, Svobodová Vařeková, Radka, Hejret, Václav, Křenek, Aleš, Abagyan, Ruben, Koča, Jaroslav
Published in Journal of cheminformatics (02.12.2015)
Published in Journal of cheminformatics (02.12.2015)
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Journal Article
NEEMP: software for validation, accurate calculation and fast parameterization of EEM charges
Raček, Tomáš, Pazúriková, Jana, Svobodová Vařeková, Radka, Geidl, Stanislav, Křenek, Aleš, Falginella, Francesco Luca, Horský, Vladimír, Hejret, Václav, Koča, Jaroslav
Published in Journal of cheminformatics (17.10.2016)
Published in Journal of cheminformatics (17.10.2016)
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Journal Article
Empirical charges for chemoinformatics applications
Bouchal, Tomáš, Vařeková, Radka Svobodová, Raček, Tomáš, Ionescu, Crina-Maria, Geidl, Stanislav, Křenek, Aleš, Koča, Jaroslav
Published in Journal of cheminformatics (11.03.2014)
Published in Journal of cheminformatics (11.03.2014)
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Journal Article
gLite Job Provenance-a job-centric view
Křenek, Aleš, Sitera, Jiří, Matyska, Luděk, Dvořák, František, Mulač, Miloš, Ruda, Miroslav, Salvet, Zdeněk
Published in Concurrency and computation (10.04.2008)
Published in Concurrency and computation (10.04.2008)
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Journal Article
Something you may have wanted to know about L&B
Šustr, Zdeněk, Sitera, Jiří, Dvořák, František, Filipovič, Jiří, Kouřil, Daniel, Křenek, Aleš, Matyska, Luděk, Mulač, Miloš, Pospíšil, Jan, Ruda, Miroslav, Salvet, Zdeněk, Voců, Michal
Published in Journal of physics. Conference series (01.04.2010)
Published in Journal of physics. Conference series (01.04.2010)
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Journal Article
gLite Job Provenance
Dvořák, František, Kouřil, Daniel, Křenek, Aleš, Matyska, Luděk, Mulač, Miloš, Pospíšil, Jan, Ruda, Miroslav, Salvet, Zdeněk, Sitera, Jiří, Voců, Michal
Published in Lecture notes in computer science (2006)
Published in Lecture notes in computer science (2006)
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Book Chapter
Conference Proceeding
Abstract 1685: The EurOPDX Research Infrastructure: Supporting European and worldwide cancer research with patient-derived xenografts
Vinolo, Emilie, Arribas, Joaquin, Bertotti, Andrea, Bruna, Alejandra, Byrne, Annette T., Clarke, Robert B., Conte, Nathalie, de Jong, Steven, Decaudin, Didier, Dudova, Zdenka, Jonkers, Jos, Krasser, Daniela, Krenek, Ales, Lanfrancone, Luisa, Leucci, Eleonora, Marangoni, Elisabetta, Maelandsmo, Gunhild Mari, Mayrhofer, Michaela Th, Meehan, Terrence F., Norum, Jens Henrik, Palmer, Hector G., Gimenez, Alejandro Piris, Price, Leo, Roman-Roman, Sergio, Sarno, Francesca, Serra, Violeta, Soucek, Laura, Trusolino, Livio, van de Ven, Marieke, Vezzadini, Luca, Villanueva, Alberto, Wutte, Andrea, Medico, Enzo
Published in Cancer research (Chicago, Ill.) (15.08.2020)
Published in Cancer research (Chicago, Ill.) (15.08.2020)
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Journal Article
αCharges: partial atomic charges for AlphaFold structures in high quality
Schindler, Ondřej, Berka, Karel, Cantara, Alessio, Křenek, Aleš, Tichý, Dominik, Raček, Tomáš, Svobodová, Radka
Published in Nucleic acids research (05.07.2023)
Published in Nucleic acids research (05.07.2023)
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Journal Article
Genome assembly and annotation for red clover (Trifolium pratense; Fabaceae)
Istvánek, Jan, Jaros, Michal, Krenek, Ales, Řepková, Jana
Published in American journal of botany (01.02.2014)
Published in American journal of botany (01.02.2014)
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Journal Article
Abstract 985: The EurOPDX EDIReX project: Towards a European research infrastructure on patient-derived cancer models
Medico, Enzo, Bentires-Alj, Mohamed, Biankin, Andrew V., Bruna, Alejandra, Byrne, Annette T., Caldas, Carlos, Clarke, Robert B., Coukos, Georges, Elemento, Olivier, Hidalgo, Manuel, Inghirami, Giorgio, Jong, Steven de, Jonkers, Jos, Krenek, Ales, Leucci, Eleonora, Maelandsmo, Gunhild Mari, Mayrhofer, Michaela Th, Meehan, Terrence F., Niclou, Simone P., Pelicci, Pier Giuseppe, Piris-Gimenez, Alejandro, Price, Leo, Roman-Roman, Sergio, Trusolino, Livio, Vezzadini, Luca, Villanueva, Alberto, Vinolo, Emilie
Published in Cancer research (Chicago, Ill.) (01.07.2018)
Published in Cancer research (Chicago, Ill.) (01.07.2018)
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Journal Article
Collective Variable for Metadynamics Derived From AlphaFold Output
Spiwok, Vojtěch, Kurečka, Martin, Křenek, Aleš
Published in Frontiers in molecular biosciences (13.06.2022)
Published in Frontiers in molecular biosciences (13.06.2022)
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Journal Article
Special Issue: The First Provenance Challenge
Moreau, Luc, Ludäscher, Bertram, Altintas, Ilkay, Barga, Roger S., Bowers, Shawn, Callahan, Steven, Chin JR, George, Clifford, Ben, Cohen, Shirley, Cohen-Boulakia, Sarah, Davidson, Susan, Deelman, Ewa, Digiampietri, Luciano, Foster, Ian, Freire, Juliana, Frew, James, Futrelle, Joe, Gibson, Tara, Gil, Yolanda, Goble, Carole, Golbeck, Jennifer, Groth, Paul, Holland, David A., Jiang, Sheng, Kim, Jihie, Koop, David, Krenek, Ales, McPhillips, Timothy, Mehta, Gaurang, Miles, Simon, Metzger, Dominic, Munroe, Steve, Myers, Jim, Plale, Beth, Podhorszki, Norbert, Ratnakar, Varun, Santos, Emanuele, Scheidegger, Carlos, Schuchardt, Karen, Seltzer, Margo, Simmhan, Yogesh L., Silva, Claudio, Slaughter, Peter, Stephan, Eric, Stevens, Robert, Turi, Daniele, Vo, Huy, Wilde, Mike, Zhao, Jun, Zhao, Yong
Published in Concurrency and computation (10.04.2008)
Published in Concurrency and computation (10.04.2008)
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Journal Article