Funding

The main source of IQCC funding comes from projects obtained from competitive calls at local, national or European level. In order to increase the quality of the research carried out at the institute, IQCC pretends to maintain and increse its level of internationalization by increasing its participation in international networks and getting funding from competitive European/international projects. The main scientific projects led or participated by IQCC members are detailed in this section.


ERC Projects

ERC


ERC Starting Grants


Project: Network models for the computational design of proficient enzymes (NETMODEZYME)
Researcher: Dr Sílvia Osuna
Reference: ERC-2015-StG-679001
Funding: 1.400.000 €
Periode: 01/01/2015 – 31/12/2019



Marie Skłodowska-Curie Actions

ERC


Marie Skłodowska-Curie Innovative Training Networks (ITN-ETN)


Project: Non-Noble Metal Catalysis (NoNoMeCat)
Researcher: Dr. Miquel Costas
Reference: H2020-MSCA-ITN-2015-675020
Funding: 495.745 € (3.318.634 €)
Periode: 2016 – 2020


Marie Skłodowska-Curie Individual Fellowships (IF)


Project: Computational evolution of enzyme variants through conformational networks (EnzVolNet)
Researcher: Dr. Javier Iglesias-Fernández (S. Osuna)
Reference: H2020-MSCA-IF-2016-753045
Funding: 158.121 €
Periode: 01/01/2017 – 01/01/2019
Project: MulArEffect
Researcher: D. Szczepanik (M. Solà)
Reference: H2020-MSCA-IF-2017-797335
Funding: 158.122 €
Periode: 01/10/2018 – 30/09/2020


COST Actions

ERC


Project: C-H Activation in Organic Synthesis (CHAOS)
Researcher: Dr. Xavi Ribas
Reference: CA 15106
Funding: Participant
Periode: 2016 – 2020


ICREA Acadèmia Awards

ERC


Project: Programa ICREA Acadèmia 2014
Researcher: Dr. Miquel Solà
Reference: ICREA Acadèmia 2014
Funding: 205.000 €
Periode: 01/01/2015 – 31/12/2019
Project: Programa ICREA Acadèmia 2015
Researcher: Dr. Xavi Ribas
Reference: ICREA Acadèmia 2015
Funding: 205.000 €
Periode: 01/01/2016 – 31/12/2020


MINECO Projects

ERC


Proyectos I+D


Project: Generación y caracterización de especies de hierro y manganeso en altos estados de oxidación, y su uso en catalisis asimétrica (HIGHVALCAT)
Researcher: Dr Miquel Costas
Reference: CTQ2015-70795-P
Funding: 190.817 €
Periode: 2016 – 31/03/2019
Project: Computación del estado excitado: De espectros moleculares a sistemas multicromofóricos (MSPEC-MCHROM)
Researcher: Dr Lluís Blancafort
Reference: CTQ2015-69363-P
Funding: 58.080 €
Periode: 2016 – 30/06/2019


Project: Avances en la Reactividad de Fullerenos y Nanotubos: Estudios Teorico-Experimentales de Ciclaciones Catalizadas por Metales de Transición
Researcher: Miquel Solà & Anna Pla
Reference: CTQ2017-85341-P
Funding: 199.650 €
Periode: 01/01/2018 – 31/12/2020
Project: BiCycle Program
Researcher: Dr Agustí Lledó
Reference: CTQ2017-83587-P
Funding: 64.130 €
Periode: 01/01/2018 – 31/12/2020


Project: Characterization and prediction of short-lived transition-metal species
Researcher: Dr Marcel Swart
Reference: CTQ2017-87392-P
Funding: 89.540 €
Periode: 01/01/2018 – 31/12/2020
Project: Model platforms for the mechanistic understanding of C-H and C-X functionalizations (MODMECH)
Researcher: Dr Xavi Ribas & Dr Anna Company
Reference: CTQ2016-77989-P
Funding: 135.000 €
Periode: 2017 – 2019


Retos 2015


Project: Estudio del papel de las variantes genéticas en regiones no exónicas en el Síndrome de Brugada
Researcher: Dr Sara Pagans & Dr Miquel Duran
Reference: SAF2015-70823-R
Funding: 108.900 €
Periode: 01/01/2016 – 31/12/2019


Programa Ramon y Cajal


Project: Programa Ramón y Cajal
Researcher: Dr. Sílvia Osuna
Reference: RYC-2014-16846
Funding: 308.600 €
Periode: 2016 – 2020
Project: Programa Ramón y Cajal
Researcher: Dr. Agustí Lledó
Reference: RYC-2012-11112
Funding: 208.600 €
Periode: 2014 – 2019


Proyectos Redes de Excelencia


Project: Materiales orgánicos optoelectrónicos para la energía (ORGENERGY)
Researcher: Dr. Miquel Solà
Reference: CTQ2016-81911-REDT
Funding: 18.000 €
Periode: 2017 – 2019


Adquisición de equipamiento científico-técnico 2018


Project: Adquisición de un espectrómetro de masas MALDI-TOF
Researcher: Xavi Ribas
Reference: EQC2018-004422-P
Funding: 250.000 €
Periode: 2018 – 2019


AGAUR Projects

ERC


Consolidated group


Project: Química teòrica i Modelatge i Enginyeria molecular (QTEMEM)
Researcher: Dr. Lluís Blancafort
Reference: 2017 SGR 1434
Funding: — €
Periode: 01/01/2017 – 31/12/2019


Suport a grups de recerca


Project: Disseny i Modelatge de Reaccions Catalitzades per Metalls de Transició (DIMOCAT)
Researcher: Dr. Miquel Solà
Reference: 2017 SGR 39
Funding: 44.480 €
Periode: 01/01/2017 – 31/12/2019
Project: Laboratori de Bioquímica Computacional: Disseny Racional de Nous Enzims (CompBioLab)
Researcher: Sílvia Osuna
Reference: 2017 SGR 1707
Funding: 10.000 €
Periode: 01/01/2017 – 31/12/2019


Project: Química Bioinspirada, Supramolecular i Catàlisi (QBIS-CAT)
Researcher: Xavi Ribas
Reference: 2017 SGR 264
Funding: 65.896 €
Periode: 01/01/2017 – 31/12/2019


La Caixa Bank Foundation

Junior Leader Postdoctoral Fellowship, Retaining Programme


Project: Development of Sustainable Chemical Processes with Earth Abundant Metals (SUSCHEMEARTH project)
Researcher: A. Casitas
Reference: —
Funding: 305.700 €
Periode: 02/07/2018 – 01/07/2021


RES Projects

ERC


Project ID: QCM-2018-3-0036
Title: Enzyme-like catalysis with synthetic molecular receptors
Assigned Hours (in thousands): 192
IP’s: Agustí Lledó
Project ID: QCM-2018-2-0047
Title: Computational spectroscopy of dinuclear nickel complexes
Assigned Hours (in thousands): 331.8
IP’s: Marcel Swart


Project ID: QCM-2018-2-0040
Title: Complete reconstruction of substrate binding in Epoxide Hydrolases
Assigned Hours (in thousands): 25
IP’s: Sílvia Osuna
Project ID: QCM-2018-2-0034
Title: Water splitting reactivity of phosphorous doped graphene
Assigned Hours (in thousands): 500
IP’s: Lluís Blancafort


Project ID: QCM-2018-1-0047
Title: Complete reconstruction of substrate binding in Epoxide Hydrolases
Assigned Hours (in thousands): 144
IP’s: Sílvia Osuna
Project ID: QCM-2018-1-0037
Title: Water splitting reactivity of phosphorous doped graphene
Assigned Hours (in thousands): 240
IP’s: Lluís Blancafort


Project ID: QCM-2017-3-0045
Title: Simulating ligand binding and unbinding with accelerated molecular dynamics
Assigned Hours (in thousands): 40
IP’s: Ferran Feixas
Project ID: QCM-2017-3-0038
Title: Optical spectra of DNA oligomers and polymers simulated with real time-dependent density functional theory
Assigned Hours (in thousands): 200
IP’s: Lluís Blancafort


Project ID: QCM-2017-3-0029
Title: The role of distal mutations and allosteric regulation on the catalytic efficiency of tryptophan synthase
Assigned Hours (in thousands): 50
IP’s: Sílvia Osuna
Project ID: QCM-2017-2-0028
Title: Simulating ligand binding and unbinding with accelerated molecular dynamics
Assigned Hours (in thousands): 57.60
IP’s: Ferran Feixas


Project ID: QCM-2017-2-0022
Title: Optical spectra of DNA oligomers and polymers simulated with real time-dependent density functional theory
Assigned Hours (in thousands): 275
IP’s: Lluís Blancafort
Project ID: QCM-2017-2-0020
Title: Application of the explicit exciton approach to the study of the photocatalytic oxidation of water on TiO2
Assigned Hours (in thousands): 200
IP’s: Lluís Blancafort


Project ID: QCM-2017-2-0019
Title: The role of distal mutations and allosteric regulation on the catalytic efficiency of tryptophan synthase
Assigned Hours (in thousands): 255
IP’s: Sílvia Osuna
Project ID: QCM-2017-1-0029
Title: Challenging spin states of iron clusters
Assigned Hours (in thousands): 200
IP’s: Marcel Swart


Project ID: QCM-2017-1-0019
Title: The role of distal mutations and allosteric regulation on the catalytic efficiency of tryptophan synthase
Assigned Hours (in thousands): 288
IP’s: Sílvia Osuna
Project ID: QCM-2016-3-0027
Title: The role of distal mutations and allosteric regulation on the catalytic efficiency of tryptophan synthase
Assigned Hours (in thousands): 288
IP’s: Sílvia Osuna


Project ID: QCM-2016-2-0009
Title: Markov State Models for Enzyme Design
Assigned Hours (in thousands): 288
IP’s: Sílvia Osuna
Project ID: QCM-2016-1-0015
Title: Markov State Models for Enzyme Design
Assigned Hours (in thousands): 288
IP’s: Sílvia Osuna


Project ID: QCM-2015-3-0050
Title: Interaction of taste enhancers with umami taste receptors: study of the molecular mechanism of umami taste synergism
Assigned Hours (in thousands): 64.8
IP’s: Marcel Swart
Project ID: QCM-2015-3-0048
Title: Computational exploration and design of new epoxide hydrolase variants
Assigned Hours (in thousands): 57.6
IP’s: Ken Houk / Sílvia Osuna


Project ID: QCM-2015-3-0030
Title: Markov State Models for Enzyme Design
Assigned Hours (in thousands): 288
IP’s: Sílvia Osuna
Project ID: QCM-2015-3-0016
Title: Spinning Resonance Raman spectroscopy
Assigned Hours (in thousands): 160
IP’s: Marcel Swart


Project ID: QCM-2015-2-0027
Title: Computational exploration and design of new epoxide hydrolase variants
Assigned Hours (in thousands): 58
IP’s: Ken Houk / Sílvia Osuna
Project ID: QCM-2015-2-0026
Title: Interaction of substrate with taste receptors
Assigned Hours (in thousands): 57.6
IP’s: Marcel Swart


Project ID: QCM-2014-3-0013
Title: Interaction of substrate with taste receptors
Assigned Hours (in thousands): 59.04
IP’s: Marcel Swart
Project ID: QCM-2014-2-0001
Title: Molecular chemistry of Alzheimer’s disease
Assigned Hours (in thousands): 311.04
IP’s: Marcel Swart


Project ID: QCM-2013-2-0027
Title: Multi-scale modeling of heme-proteins NMR chemical shifts
Assigned Hours (in thousands): 324
IP’s: Marcel Swart
Project ID: QCM-2013-2-0012
Title: Characterization of supramolecular host-guest cages
Assigned Hours (in thousands): 84
IP’s: Marcel Swart


Project ID: QCM-2013-2-0004
Title: Molecular chemistry of Alzheimer’s disease
Assigned Hours (in thousands): 130
IP’s: Marcel Swart
Project ID: QCM-2013-1-0010
Title: Catalytic mechanism of the Complex II family enzyme Succinate: quinone oxidoreductase (SQR)
Assigned Hours (in thousands): 50
IP’s: Marcel Swart


Project ID: BCV-2017-2-0015
Title: Unraveling the dynamics of nitrogenase: aerobic conformational protection and preorganization for electron transfer
Assigned Hours (in thousands): 30
IP’s: Ferran Feixas
Project ID: BCV-2016-3-0011
Title: The molecular basis of R513 arginine recognition and methylation in cardiac conduction disease
Assigned Hours (in thousands): 57.60
IP’s: Ferran Feixas


Project ID: BCV-2013-1-0011
Title: Exploring enzyme catalysis of a series of Directed Evolution ADH mutants
Assigned Hours (in thousands): 33.04
IP’s: Ken Houk


Collaboration agreement

Xeros Ltd. (A. Pla-Quintana)
SCM (M. Swart)
Gaussian Inc. (P. Salvador; L. Blancafort)