Gerrit Groenhof

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ORCID link: http://orcid.org/0000-0001-8148-5334

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Gerrit Groenhof, Department of Chemistry (University of Jyväskylä), Akatemiatutkija

Gerrit Groenhof, Department of Chemistry (University of Jyväskylä), Senior Lecturer

Research interests

'''Everything that living things do can be understood in terms of the jiggling and wiggling of atoms'' (Richard Feynman). The goal of my research is to observe the jiggling and wiggling and design means to control them.'

Projects as Principal investigator

BioExcel-2
Centre of Excellence for Computational Biomolecular Research

European Commission

01/01/2019-31/12/2021

Controlling excited state dynamics by surface plasmons

Academy of Finland

01/09/2015-31/08/2019

Development of code for running Gaussian-based QM/MM simulations of periodic systems with Gromacs

Academy of Finland

20/06/2019-30/11/2019

FluProCad: a software package for computer aided disign of fluorescent proteins

Academy of Finland

01/10/2016-30/09/2018

Genes or environment: How the protein surroundings affects their function

Academy of Finland

01/09/2020-31/08/2024

Manipulating Chemistry with Vacuum Light Fields

Academy of Finland

01/09/2019-31/08/2023

Proton powered motors: learning from biology with multi-scale modeling (PROTOMOT)

Academy of Finland

01/09/2017-31/08/2021

Valokemian säätäminen: viritys dynamii/2

Academy of Finland

01/09/2015-31/08/2017

Valokemian säätäminen: viritys dynamiikan kontrollinti molekylaari koneissa, Taming photochemistry: controlling excited state dynamics in molecular devices

Academy of Finland

01/09/2012-31/08/2017

Projects as Team Member

Genes or environment: How the protein surroundings affects their function

Ihalainen, Janne

Academy of Finland

01/09/2020-31/08/2024

Manipulating Chemistry with Vacuum Light Fields

Toppari, Jussi

Academy of Finland

01/09/2019-31/08/2023

Publications

1 of 3

GROMEX : A Scalable and Versatile Fast Multipole Method for Biomolecular Simulation (2020) Kohnke, Bartosz; et al.; A3; 978-3-030-47956-5

Observe while it happens : catching photoactive proteins in the act with non-adiabatic molecular dynamics simulations (2020) Groenhof, Gerrit; et al.; A1; OA

Photoactive Yellow Protein Chromophore Photoisomerizes around a Single Bond if the Double Bond Is Locked (2020) Mustalahti, Satu; et al.; A1; OA

The primary structural photoresponse of phytochrome proteins captured by a femtosecond X-ray laser (2020) Claesson, Elin; et al.; A1; OA

Exploring fast proton transfer events associated with lateral proton diffusion on the surface of membranes (2019) Amdursky, Nadav; et al.; A1; OA

Protonation of the Biliverdin IXα Chromophore in the Red and Far-Red Photoactive States of Bacteriophytochrome (2019) Modi, Vaibhav; et al.; A1; OA

Theory for the stationary polariton response in the presence of vibrations (2019) Kansanen, Kalle S. U.; et al.; A1; OA

Tracking Polariton Relaxation with Multiscale Molecular Dynamics Simulations (2019) Groenhof, Gerrit; et al.; A1; OA

Aluminum Plasmonics : Fabrication and Characterization of Broadly Tunable Plasmonic Surfaces for Plasmon Molecule Strong-Coupling and Fluorescence Enhancement (2018) Pikker, Siim; et al.; B3

Coherent Light Harvesting through Strong Coupling to Confined Light (2018) Groenhof, Gerrit; et al.; A1; OA

Excitation-Wavelength Dependent Photocycle Initiation Dynamics Resolve Heterogeneity in the Photoactive Yellow Protein from Halorhodospira halophila (2018) Mix, L. Tyler; et al.; A1; OA

Molecular Mechanism of ATP Hydrolysis in an ABC Transporter (2018) Prieß, Marten; et al.; A1; OA

Accurate Three States Model for Amino Acids with Two Chemically Coupled Titrating Sites in Explicit Solvent Atomistic Constant pH Simulations and pKa Calculations (2017) Dobrev, Plamen; et al.; A1

Cationic and Anionic Impact on the Electronic Structure of Liquid Water (2017) Yin, Zhong; et al.; A1; OA

Dynamics of Strongly Coupled Modes between Surface Plasmon Polaritons and Photoactive Molecules: The Effect of the Stokes Shift (2017) Baieva, Svitlana; et al.; A1

Dynamic Stabilization of the Ligand-Metal Interface in Atomically Precise Gold Nanoclusters Au68 and Au144 Protected by meta-Mercaptobenzoic Acid (2017) Tero, Tiia-Riikka; et al.; A1; OA

Exploring Strategies for Labeling Viruses with Gold Nanoclusters through Non-equilibrium Molecular Dynamics Simulations (2017) Pohjolainen, Emmi; et al.; A1

Multiscale Molecular Dynamics Simulations of Polaritonic Chemistry (2017) Luk, Hoi Ling; et al.; A1; OA

Acid–Base Properties and Surface Charge Distribution of the Water-Soluble Au102(pMBA)44 Nanocluster (2016) Koivisto, Jaakko; et al.; A1

A Unified AMBER-Compatible Molecular Mechanics Force Field for Thiolate-Protected Gold Nanoclusters (2016) Pohjolainen, Emmi; et al.; A1