Scientific research carry out in BioComp group are basically supported by University Jaume I, Spanish Ministerio de Economía y Competitividad, Generalitat Valenciana and UJI Foundation. Recently, the group participate in the several projects founded by Universitat Jaume I, Generalitat Valenciana, The Leverhulme Trust, and Spanish Ministry of Science, Innocation and Univeristies.
FINANCIAL SUPPORT:
Ministerio de Ciencia e Innovación. / European Regional Development Fund
01/11/2022 - 12/12/2025, PI: V. Moliner
"A combined theoretical and experimental approach to the rational design of high value chemicals with implications for biotherapeutic engineering"
Generalitat Valenciana / European Regional Development Fund
01/09/2022 – 31/12/2026, PI: V. Moliner
"Computer-Aided Drug Design for the COVID-19 treatments by Machine Learning and QM/MM Methods".
Generalitat Valenciana-European Regional Development Fund (IDIFEDER/2021/027)
January 2021 –December 2022 PI: V. Moliner
"Theoretical studies of reactivity in cellular processes" (RYC2020-030596-I)
Ramon y Cajal contract, Ministerio de Ciencia e Innovación, Fondo Social Europeo
1 January 2022 - 31 December 2026 PI: K. Świderek
Computational studies of mechanism and inhibition of enzymatic proteolysis as complementary approach to the world of modern drug discovery. (PID2019-107098RJ-I00) Ministerio de Ciencia, Innovación y Universidades
June 2020 - December 2022 PI: K. Świderek
Unravelling the Reaction and Inhibition Mechanism of Proteasome 20S and Rhomboid Protease by QM/MM Theoretical Methods: two Bio-Macromolecules Involved in Cancer Proliferation. (SEJI/2020/007) Generalitat Valenciana excelencia científica juniors investigadores SEJI 2020
June 2020 - December 2022 PI: K. Świderek
Computational study of the inhibition of proteins that participate in the development of cancer disease.Design of new drugs. (UJI-B2019-43) Universitat Jaume I
January 2020 –December 2022 PI: M. Roca
Theoretical studies of peptide bond cleavage in cellular processes, from inhibition to design. (UJI-A2019-04) Universitat Jaume I
January 2020 - December 2022 PI: K. Świderek
Diseño de nuevas enzimas mediante el uso de métodos computacionales multiescala. (UJI-B2017-31) Universitat Jaume I
1 Enero 2018 – 31 Diciembre 2020 PI: V. Moliner
QM CUBE: Molecular simulations of catalytic processes. Developments and applications in biomedicine and biotechnology. Ministry of Science, Innovation and Universities. (PGC2018-094852-B-C21) January 2019 –December 2021 PIs: S. Martí , V. Moliner
Computational design of new biocatalysts. Generalitat Valenciana ( AICO/2019/195)
January 2019 –December 2021 PI: V. Moliner
"Consolidation of the Scientific Computing Cluster: servers, storage and network equipment. Ministry of Science, Innovation and Universities. (EQC2019-006018-P)
January 2020 –December 2021 PI: V. Moliner
Designing Multifunctional Organocatalytic Artificial Enzymes. (RPG-2017-195) The Leverhulme Trust. UK.
1 November 2017 – 31 October 2020 Members: LYP Luk, L. Morrill, V. Moliner
Theoretical study of the reaction mechanism of enzymes that catalyze the biosynthesis of nucleotides and nucleic nitrogenous bases for the design of new inhibitors. (UJI-B2016-28) Universitat Jaume I January 2017 – December 2019 PI: M. Roca
"Modelización Multiescala de Reacciones Químicas en Entornos Biológicos" Ministerio de Economía y Competitividad (CTQ2015-66223-C2-1-P);
1 January 2016 to 31 December 2018 PI: V. Moliner
Mechanism of formation and breaking of peptide and phosphodiester bonds based on theoretical studies of reaction catalyzed by Ribosome 70S and Protease and Integrase of HIV-1. Polish Ministry of Science and Higher Education “Iuventus Plus” (0478/IP3/2015/73, 2015-2016)
01/03/2015 - 28/02/2107 PI: K. Świderek
"Tunneling and Dynamics in Enzyme Catalyzed Reactions." National Institute of Health (USA), The Institute for General Medicinal Sciences (R01GM065368);
6 June 2014 to 5 June 2018 PI: A. Kohen, V. Moliner
"Theoretical studies of enzymatic promiscuity. computational design of biological catalysts " Universitat Jaume I (P1·1B2014-26);
1 January 2014 to 31 December 2016 PI: V. Moliner
"Simulaciones moleculares de procesos catalíticos. Desarrollos y aplicaciones en biomedicina y biotecnología." Ministerio de Economía y Competitividad (TQ2012-36253-C03-01); 1 January 2013 to 31 December 2015 PI: V. Moliner
"Binding isotope effects as a new, unique tool for studies of receptor - ligand interactions." Polish National Center for Science (2011/02/A/ST4/00246); 1
January 2012 to 31 December 2017 PI: P. Paneth
"Diseño Computacional de Fármacos" Fundación UJI-Bancaixa (P1-1B2011-23);
1 January 2011 to 31 December 2014 PI: V. Moliner
"Ayudas para acción complementaria" Generalitat Valenciana (ACOMP/2011/038);
1 January 2011 to 31 December 2011 PI: V. Moliner
"Modelos computacionales en catálisis biológica. Aplicaciones en biomedicina y biotecnología" Ministerio de Ciencia e Innov. CTQ2009-14541-C02-01
1 January 2010 to 31 December 2012 PI: V. Moliner
"Servidores, electrónica de red y ampliación SAN." Ministerio de Ciencia e Innov. (UNJM08-3E-001)
1 October 2009 to 31 December 2007 PI: V. Moliner
"Diseño computacional de inhibidores enzimáticos y catalizadores biológicos." Fundación UJI-Bancaixa (P1.1B2008-36)
1 October 2008 to 31 December 2010 PI: V. Moliner
"Ayudas para la organización de congresos." Generalitat Valenciana (AORG/2007/062)
1 January 2007 to 31 December 2007 PI: V. Moliner
"Ayudas para la organización de acciones complementarias." Ministerio de Educación y C. (CTQ2006-27184-E/BQU)
1 January 2007 to 31 December 2007 PI: V. Moliner
"Aplicación de métodos híbridos QM/MM al estudio del efecto del medio en procesos químicos y bioquímicos para productos naturales de la Amazonía."
Capes(Brazil)-Ministerio Educación y Ciencia (PHB2005-0091-PC) 1 January2006 to 31 December 2009 PI: V. Moliner
"Aplicaciones de nuevas técnicas QM/MM al estudio de sistemas enzimáticos." Generalitat Valenciana (GV06/016)
1 January 2006 to 31 December 2007 PI: V. Moliner
"Avances metodológicos y nuevas aplicaciones en el estudio teórico de la catálisis enzimática: diseño de inhibidores." Generalitat Valenciana (GV06/152)
1 January 2006 to 31 December 2007 PI: V. Moliner