Projects per year
Projects
- 25 Finished
Search results
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Finished
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Novel Enhanced Sampling Methods in Multiscale Modeling
EPSRC Engineering and Physical Sciences Research Council
1/10/2018 → 30/09/2023
Project: Research
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Structure and Mechanism of CRISPR-Cas1 Enzyme: Computational Insights
1/10/2017 → 30/09/2019
Project: Research
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Nano-Optics to controlled Nano-Chemistry Programme Grant (NOtCH)
EPSRC Engineering and Physical Sciences Research Council
29/09/2017 → 28/09/2018
Project: Research
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ETRANSFER - Kinetics and free energies of coupled proton and electron transfer in catalytic reactions (Istvan Szabo)
1/09/2017 → 31/08/2019
Project: Research
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FreeEnergyMgOP - Role of magnesium in phosphate catalysed reactions: QM/MM and MD free energy calculations of RAF kinase (Silvia Gomez Coca)
1/09/2017 → 31/08/2019
Project: Research
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Probing the sulfation code: The catalytic machinery of heparan sulfate sulfation
14/11/2016 → 13/11/2018
Project: Research
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Structure of yeast cytochrome oxidase and functions of hydrophilic channels and supernumerary subunits: biophysical andsimulation studies
1/09/2016 → 31/08/2019
Project: Research
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Calculation of kinetic rates directly from atomistic molecular simulations
EPSRC Engineering and Physical Sciences Research Council
1/07/2016 → 31/03/2017
Project: Research
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Atomistic and Systems-level Modelling of Phosphate Catalysis
BBSRC Biotechnology and Biological Sciences Research Council
1/04/2016 → 31/03/2018
Project: Research
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Conformational kinetic networks in oncogenic signalling pathways
1/03/2016 → 28/02/2019
Project: Research
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Accurate free energy calculations for biomolecular catalysis of electron transfer
EPSRC Engineering and Physical Sciences Research Council
1/01/2016 → 30/09/2017
Project: Research
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Electron transfer around ferredoxin-NADP+ oxidoreductases (ElecTra)
1/10/2015 → 30/09/2019
Project: Research
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Mechanism of coupled proton transfer and phosphate group transfer in kinase complexes revealed by accurate QM/MM simulations - pTRANSFER
1/04/2014 → 31/03/2016
Project: Research
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PHOSPHOENZYMQMMM - Phosphate Processing in Enzymes: Structure, Dynamics and Chemistry
1/04/2014 → 9/11/2016
Project: Research
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Role of dimerization in the activation mechanism of ERK kinases
1/12/2013 → 30/11/2016
Project: Research
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QM/MM free energy simulations of phosphate hydrolysis and transfer catalytic reactions
1/10/2013 → 30/09/2017
Project: Research
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Molecular mechanisms of proton and phosphate transfer in signalling pathways
1/10/2013 → 30/09/2016
Project: Research
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Catalytic Mechanism of the Oxidative Pentose Phosphate Pathway
1/03/2013 → 28/02/2015
Project: Research
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Mechanism of coupled proton transfer and phosphate group transfer in kinase complexes revealed by accurate QM/MM simulations
1/03/2013 → 28/02/2015
Project: Research
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Prokaryotic FAD synthetases: Inhibitor design and theoretical catalytic mechanism studies
1/03/2013 → 28/02/2015
Project: Research