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Chris Oostenbrink

Chris Oostenbrink

D-Index & Metrics

Chemistry

D-Index
59
Citations
20199
World Ranking
9989
National Ranking
62

Overview

Chris Oostenbrink is affiliated with BOKU University in Austria and has contributed extensively to the field of Biochemistry, Genetics and Molecular Biology, with a total of 112 publications. Their work spans multiple subfields including Molecular Biology, Materials Chemistry, Infectious Diseases, Atomic and Molecular Physics, and Biotechnology.

The main topics covered in their research include Protein Structure and Dynamics, Enzyme Structure and Function, SARS-CoV-2 and COVID-19 Research, Spectroscopy and Quantum Chemical Studies, Soil Carbon and Nitrogen Dynamics, COVID-19 Clinical Research Studies, and Clay minerals and soil interactions. These diverse topics reflect a broad scope of scientific inquiry, ranging from molecular processes to environmental chemistry.

Oostenbrink's research appears frequently in notable publication venues. The most common include the Journal of Chemical Information and Modeling, the Journal of Chemical Theory and Computation, ACS Catalysis, bioRxiv (Cold Spring Harbor Laboratory), and the Journal of Computational Chemistry. These venues suggest a focus on chemical and computational approaches within their studies.

Some of the recent papers authored by Oostenbrink include:

  • Advances in the calculation of binding free energies (2020) in Current Opinion in Structural Biology
  • Identification of lectin receptors for conserved SARS-CoV-2 glycosylation sites (2021) in The EMBO Journal
  • ACE2 is the critical in vivo receptor for SARS-CoV-2 in a novel COVID-19 mouse model with TNF- and IFNγ-driven immunopathology (2022) in eLife
  • Soil organic matter stabilization at molecular scale: The role of metal cations and hydrogen bonds (2021) in Geoderma
  • Clinical grade ACE2 as a universal agent to block SARS-CoV -2 variants (2022) in EMBO Molecular Medicine

Oostenbrink has collaborated frequently with several researchers, including Dražen Petrov, Bettina Lier, Josef Penninger, Edgar Galicia-Andrés, and Christoph Öhlknecht. The number of joint publications ranges from 10 to 13, indicating sustained research partnerships.

Best Publications

  • A biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force-field parameter sets 53A5 and 53A6.

    Chris Oostenbrink;Alessandra Villa;Alan E. Mark;Wilfred F. Van Gunsteren

  • An Automated Force Field Topology Builder (ATB) and Repository: Version 1.0.

    Alpeshkumar K. Malde;Le Zuo;Matthew Breeze;Martin Stroet

  • Molecular Dynamics Simulations

    Daan Frenkel;Berend Smit

  • Molecular dynamics simulations.

    Tomas Hansson;Chris Oostenbrink;Wilfred F. Van Gunsteren

  • The GROMOS software for biomolecular simulation: GROMOS05

    Markus Christen;Philippe H. Hünenberger;Dirk Bakowies;Riccardo Baron

  • Biomolecular modeling: Goals, problems, perspectives.

    Wilfred F. van Gunsteren;Dirk Bakowies;Riccardo Baron;Indira Chandrasekhar

  • Validation of the 53A6 GROMOS force field.

    Chris Oostenbrink;Thereza A. Soares;Nico F. A. van der Vegt;Wilfred F. van Gunsteren

  • New Interaction Parameters for Charged Amino Acid Side Chains in the GROMOS Force Field

    Maria M. Reif;Philippe H. Hünenberger;Chris Oostenbrink

  • A consistent potential energy parameter set for lipids: dipalmitoylphosphatidylcholine as a benchmark of the GROMOS96 45A3 force field.

    Indira Chandrasekhar;Mika Kastenholz;Roberto D. Lins;Chris Oostenbrink

  • The role of water molecules in computational drug design.

    Stephanie B.A. de Beer;Nico P.E. Vermeulen;Chris Oostenbrink

  • GROMOS++ Software for the Analysis of Biomolecular Simulation Trajectories.

    Andreas P Eichenberger;Jane R Allison;Jožica Dolenc;Jožica Dolenc;Daan P Geerke

  • Exploring genetic suppression interactions on a global scale

    Jolanda van Leeuwen;Carles Pons;Joseph C. Mellor;Joseph C. Mellor;Takafumi N. Yamaguchi;Takafumi N. Yamaguchi

  • An improved nucleic acid parameter set for the GROMOS force field.

    Thereza A. Soares;Philippe H. Hünenberger;Mika A. Kastenholz;Vincent Kräutler

  • Estimating entropies from molecular dynamics simulations

    Christine Peter;Chris Oostenbrink;Arthur van Dorp;Wilfred F. van Gunsteren

  • A fast and sensitive activity assay for lytic polysaccharide monooxygenase.

    Erik Breslmayr;Marija Hanžek;Marija Hanžek;Aoife Hanrahan;Christian Leitner

  • Catalytic site prediction and virtual screening of cytochrome P450 2D6 substrates by consideration of water and rescoring in automated docking.

    Chris de Graaf;Chris Oostenbrink;Peter H. J. Keizers;Tushar van der Wijst

  • Impact of plasticity and flexibility on docking results for cytochrome P450 2D6: a combined approach of molecular dynamics and ligand docking.

    Jozef Hritz;Anita de Ruiter;Chris Oostenbrink

  • Free energies of ligand binding for structurally diverse compounds

    Chris Oostenbrink;Wilfred F. van Gunsteren

  • Improved ligand-protein binding affinity predictions using multiple binding modes.

    Eva Stjernschantz;Chris Oostenbrink;Chris Oostenbrink

  • Identification of critical residues in novel drug metabolizing mutants of cytochrome P450 BM3 using random mutagenesis.

    Barbara M A van Vugt-Lussenburg;Eva Stjernschantz;Jeroen Lastdrager;Chris Oostenbrink

Frequent Co-Authors

Nico P. E. Vermeulen
Nico P. E. Vermeulen Vrije Universiteit Amsterdam
Christian Obinger
Christian Obinger BOKU University
Paul G. Furtmüller
Paul G. Furtmüller BOKU University
Daniel Tunega
Daniel Tunega BOKU University
Roland Ludwig
Roland Ludwig BOKU University
Alan E. Mark
Alan E. Mark University of Queensland
Jan N. M. Commandeur
Jan N. M. Commandeur Vrije Universiteit Amsterdam
Martin H. Gerzabek
Martin H. Gerzabek BOKU University

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