DeProtCa

BioComp group project

Project fundings:

15/04/2025

Project title: "Deciphering the structural and kinetic principles of enzymes to design advanced protein-based catalysts for enhanced biocatalysis."
Ayudas para Incentivar la Consolidación Investigadora
 (REF: CNS2024-154238) 
Ministerio de Ciencia e Innovación y Universidades, Fondo Social Europeo
15 April 2025 - 14 April 2027 PI: K. Świderek


27/09/2022

Project title: "CONFINED MOLECULAR SYSTEMS: FROM A NEW GENERATION OF MATERIALS TO THE STARS (COSY)"
COST Action CA21101, Funded by 
European Union
Member of WG2 (Molecular Motion in Confined Systems working group)
27 September 2022 - 26 September 2026 PI: María Pilar de Lara-Castells


01/01/2022

Project title: "Theoretical studies of reactivity in cellular processes"
Ramon y Cajal contract
 (REF: RYC2020-030596-I) 
Ministerio de Ciencia e Innovación, Fondo Social Europeo
1 January 2022 - 31 December 2026 PI: K. Świderek


01/10/2020

Project title: "Computational studies of mechanism and inhibition of enzymatic proteolysis as complementary approach to the world of modern drug discovery." 
(REF: PID2019-107098RJ-I00) 
Ministerio de Ciencia, Innovación y Universidades 
1 October 2020 - 30 September 2023 PI: K. Świderek


06/09/2020

Project title: "Unravelling the Reaction and Inhibition Mechanism of Proteasome 20S and Rhomboid Protease by QM/MM Theoretical Methods: two Bio-Macromolecules Involved in Cancer Proliferation." 
(REF: SEJI/2020/007) 
GVA,  Subvenciones Excelencia Científica Juniors Investigadores, SEJI 2020 
06 September 2020 - 31 December 2022 PI: K. Świderek


01/01/2020

Project title:"Theoretical studies of peptide bond cleavage in cellular processes, from inhibition to design."
(REF: UJI-A2019-04)
Universitat Jaume I 
1 January 2020 - 31 December 2022 PI: K. Świderek

01/05/2018

Juan de la Cierva–Incorporación contract  
(REF:IJCI-2016–27503)
the Spanish Ministerio de Economía y Competitividad
1 May 2018- 30 September 2020, PI: K. Świderek & V. Moliner


01/03/2015

Project title: 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
(REF:0478/IP3/2015/73, 2015-2016)
Polish Ministry of Science and Higher Education, Iuventus Plus grant 
1 March 2015- 28 Februrary 2017, PI: K. Świderek

Resources:

01/02/2021 

T∙R∙I∙N∙I∙T∙Y cluster: 320 CPUs and 10 Geforce RTX 3090 Turbo 24GB GDDR6X sponsored by GVA-SEJIGENT program (REF: SEJI/2020/007) and Universitat Jaume I from the project of PLA DE PROMOCIÓ DE LA INVESTIGACIÓ (REF: UJI-A2019-04). 96 CPUs and 2 NVIDIA RTX 3090 24 GB GDDR6X Blower funded by Ministerio de Ciencia, Innovación y Universidades (REF: ID2019-107098RJ-I00).




26/10/2020

The Spanish Supercomputing Network (Red Española de Supercomputación, RES) granted project entitled: "QM/MM studies of the mechanism of autolysis, proteolysis, and inhibition of a key player in the cell protein quality control system, human 20S proteasome." (REF: QSB-2020-3-00121 November 2020 - 28 February 2021
PI: 
K. Świderek

Assigned SitePirineus (CSUC)
Assigned Hours (in thousands)Type A300.4
Type B300.4
Storage Space (Gigabytes)Projects500
Scratch100
AA / Tape0