The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations
Rizzi, Andrea, Jensen, Travis, Slochower, David R., Aldeghi, Matteo, Gapsys, Vytautas, Ntekoumes, Dimitris, Bosisio, Stefano, Papadourakis, Michail, Henriksen, Niel M., de Groot, Bert L., Cournia, Zoe, Dickson, Alex, Michel, Julien, Gilson, Michael K., Shirts, Michael R., Mobley, David L., Chodera, John D.
Published in Journal of computer-aided molecular design (01.05.2020)
Published in Journal of computer-aided molecular design (01.05.2020)
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Journal Article
Reproducibility of Free Energy Calculations across Different Molecular Simulation Software Packages
Loeffler, Hannes H, Bosisio, Stefano, Duarte Ramos Matos, Guilherme, Suh, Donghyuk, Roux, Benoit, Mobley, David L, Michel, Julien
Published in Journal of chemical theory and computation (13.11.2018)
Published in Journal of chemical theory and computation (13.11.2018)
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Journal Article
Sire: An interoperability engine for prototyping algorithms and exchanging information between molecular simulation programs
Woods, Christopher J., Hedges, Lester O., Mulholland, Adrian J., Malaisree, Maturos, Tosco, Paolo, Loeffler, Hannes H., Suruzhon, Miroslav, Burman, Matthew, Bariami, Sofia, Bosisio, Stefano, Calabro, Gaetano, Clark, Finlay, Mey, Antonia S. J. S., Michel, Julien
Published in The Journal of chemical physics (28.05.2024)
Published in The Journal of chemical physics (28.05.2024)
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Journal Article
Effect of set up protocols on the accuracy of alchemical free energy calculation over a set of ACK1 inhibitors
Granadino-Roldán, José M, Mey, Antonia S J S, Pérez González, Juan J, Bosisio, Stefano, Rubio-Martinez, Jaime, Michel, Julien
Published in PloS one (12.03.2019)
Published in PloS one (12.03.2019)
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Journal Article
Publication
Metabolism and hydrophilicity of the polarised 'Janus face' all-cis tetrafluorocyclohexyl ring, a candidate motif for drug discovery
Rodil, Andrea, Bosisio, Stefano, Ayoup, Mohammed Salah, Quinn, Laura, Cordes, David B., Slawin, Alexandra M. Z., Murphy, Cormac D., Michel, Julien, O'Hagan, David
Published in Chemical science (Cambridge) (21.03.2018)
Published in Chemical science (Cambridge) (21.03.2018)
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Journal Article
Blinded predictions of distribution coefficients in the SAMPL5 challenge
Bosisio, Stefano, Mey, Antonia S. J. S., Michel, Julien
Published in Journal of computer-aided molecular design (01.11.2016)
Published in Journal of computer-aided molecular design (01.11.2016)
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Journal Article
Metabolism and hydrophilicity of the polarised 'Janus face' all-cis tetrafluorocyclohexyl ring, a candidate motif for drug discoveryElectronic supplementary information (ESI) available. CCDC 1817386-1817390. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c8sc00299a
Rodil, Andrea, Bosisio, Stefano, Ayoup, Mohammed Salah, Quinn, Laura, Cordes, David B, Slawin, Alexandra M. Z, Murphy, Cormac D, Michel, Julien, O'Hagan, David
Year of Publication 14.03.2018
Year of Publication 14.03.2018
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Journal Article
Metabolism and hydrophilicity of the polarised ‘Janus face’ all-cis tetrafluorocyclohexyl ring, a candidate motif for drug discovery† †Electronic supplementary information (ESI) available. CCDC 1817386–1817390. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c8sc00299a
Rodil, Andrea, Bosisio, Stefano, Ayoup, Mohammed Salah, Quinn, Laura, Cordes, David B., Slawin, Alexandra M. Z., Murphy, Cormac D., Michel, Julien, O'Hagan, David
Published in Chemical science (Cambridge) (19.02.2018)
Published in Chemical science (Cambridge) (19.02.2018)
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Journal Article
Nuclear and spectrochemical techniques in developmental metal toxicology research. Whole-body elemental composition of Xenopus laevis larvae
Bosisio, Stefano, Fortaner, Salvador, Rizzio, Enrico, Groppi, Flavia, Salvini, Andrea, Bode, Peter, Wolterbeek, Bert, Di Gioacchino, Mario, Sabbioni, Enrico
Published in Journal of radioanalytical and nuclear chemistry (01.03.2015)
Published in Journal of radioanalytical and nuclear chemistry (01.03.2015)
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Journal Article
Developmental toxicity, uptake and distribution of sodium chromate assayed by frog embryo teratogenesis assay- Xenopus (FETAX)
Bosisio, Stefano, Fortaner, Salvador, Bellinetto, Sonia, Farina, Massimo, Del Torchio, Riccardo, Prati, Mariangela, Gornati, Rosalba, Bernardini, Giovanni, Sabbioni, Enrico
Published in The Science of the total environment (01.09.2009)
Published in The Science of the total environment (01.09.2009)
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Journal Article
Constrained Power Management: Application to a multimedia mobile platform
Bellasi, Patrick, Bosisio, Stefano, Carnevali, Matteo, Fornaciari, William, Siorpaes, David
Published in 2010 Design, Automation & Test in Europe Conference & Exhibition (DATE 2010) (01.03.2010)
Published in 2010 Design, Automation & Test in Europe Conference & Exhibition (DATE 2010) (01.03.2010)
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Conference Proceeding
Arsenic toxicity and HSP70 expression in Xenopus laevis embryos
Gornati, Rosalba, Monetti, Claudio, Vigetti, Davide, Bosisio, Stefano, Fortaner, Salvador, Sabbioni, Enrico, Bernardini, Giovanni, Prati, Mariangela
Published in Alternatives to laboratory animals (01.11.2002)
Published in Alternatives to laboratory animals (01.11.2002)
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Journal Article
The SAMPL6 SAMPLing challenge: Assessing the reliability and efficiency of binding free energy calculations
Rizzi, Andrea, Jensen, Travis, Slochower, David R, Aldeghi, Matteo, Gapsys, Vytautas, Ntekoumes, Dimitris, Bosisio, Stefano, Papadourakis, Michail, Henriksen, Niel M, De Groot, Bert L, Cournia, Zoe, Dickson, Alex, Julien, Michel, Gilson, Michael K, Shirts, Michael R, Mobley, David L, Chodera, John D
Published in bioRxiv (03.01.2020)
Published in bioRxiv (03.01.2020)
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Paper
Power management using constraints in multi-dimensional parameter space
FORNACIARI WILLIAM, SIORPAES DAVID, BOSISIO STEFANO, BELLASI PATRICK, CARNEVALI MATTEO
Year of Publication 28.05.2013
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Year of Publication 28.05.2013
Patent
POWER MANAGEMENT USING CONSTRAINTS IN MULTI-DIMENSIONAL PARAMETER SPACE
FORNACIARI WILLIAM, SIORPAES DAVID, BOSISIO STEFANO, BELLASI PATRICK, CARNEVALI MATTEO
Year of Publication 29.12.2011
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Year of Publication 29.12.2011
Patent
Cross-layer constrained power management: Application to a multimedia mobile platform
Bellasi, Patrick, Bosisio, Stefano, Carnevali, Matteo, Fornaciari, William, Siorpaes, David
Published in 2010 First IEEE Latin American Symposium on Circuits and Systems (LASCAS) (01.02.2010)
Published in 2010 First IEEE Latin American Symposium on Circuits and Systems (LASCAS) (01.02.2010)
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Conference Proceeding