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Chemistry

D-Index
59
Citations
33794
World Ranking
9972
National Ranking
716

Overview

Holger Gohlke is affiliated with Heinrich Heine University Düsseldorf in Germany and has an extensive publication record in the fields of biochemistry, genetics, and molecular biology. Their research primarily focuses on molecular biology with significant contributions to related subfields including oncology, genetics, organic chemistry, and plant science.

Their scholarly output covers various main topics such as:

  • Protein Structure and Dynamics
  • Drug Transport and Resistance Mechanisms
  • Bacterial Genetics and Biotechnology
  • RNA and Protein Synthesis Mechanisms
  • Microbial Metabolic Engineering and Bioproduction
  • Lipid Membrane Structure and Behavior
  • Ion Channel Regulation and Function

Gohlke has published in several prominent scientific venues, with frequent appearances in:

  • bioRxiv (Cold Spring Harbor Laboratory)
  • Journal of Chemical Information and Modeling
  • Scientific Reports
  • Nature Communications
  • HHU FDM

Recent papers include:

  • "AmberTools", 2023, Journal of Chemical Information and Modeling
  • "A Novel Polyester Hydrolase From the Marine Bacterium Pseudomonas aestusnigri - Structural and Functional Insights", 2020, Frontiers in Microbiology
  • "Time-resolved structural analysis of an RNA-cleaving DNA catalyst", 2021, Nature
  • "Structure and efflux mechanism of the yeast pleiotropic drug resistance transporter Pdr5", 2021, Nature Communications
  • "Interdependence of a mechanosensitive anion channel and glutamate receptors in distal wound signaling", 2021, Science Advances

Their frequent collaborators include:

  • Stephan Schott-Verdugo
  • Christoph G. W. Gertzen
  • Sander H. J. Smits
  • Michele Bonus
  • Karl-Erich Jaeger

Best Publications

  • The Amber biomolecular simulation programs

    David A. Case;Thomas E. Cheatham;Tom Darden;Holger Gohlke

  • MMPBSA.py: An Efficient Program for End-State Free Energy Calculations.

    Bill R. Miller;T. Dwight McGee;Jason M. Swails;Nadine Homeyer

  • Knowledge-based scoring function to predict protein-ligand interactions

    Holger Gohlke;Manfred Hendlich;Gerhard Klebe

  • Insights into Protein-Protein Binding by Binding Free Energy Calculation and Free Energy Decomposition for the Ras-Raf and Ras-RalGDS Complexes

    Holger Gohlke;Christina Kiel;David A. Case

  • Free Energy Calculations by the Molecular Mechanics Poisson-Boltzmann Surface Area Method.

    Nadine Homeyer;Holger Gohlke

  • Approaches to the description and prediction of the binding affinity of small-molecule ligands to macromolecular receptors.

    Holger Gohlke;Gerhard Klebe

  • Converging free energy estimates: MM-PB(GB)SA studies on the protein–protein complex Ras–Raf

    Holger Gohlke;David A. Case

  • Assessing scoring functions for protein-ligand interactions.

    Philippe Ferrara;Holger Gohlke;Daniel J. Price;Gerhard Klebe

  • A toolkit and benchmark study for FRET-restrained high-precision structural modeling

    Stanislav Kalinin;Thomas Peulen;Simon Sindbert;Paul J Rothwell

  • DrugScore(CSD)-knowledge-based scoring function derived from small molecule crystal data with superior recognition rate of near-native ligand poses and better affinity prediction.

    Hans F G Velec;Holger Gohlke;Gerhard Klebe

  • Target flexibility: an emerging consideration in drug discovery and design.

    Pietro Cozzini;Glen E. Kellogg;Francesca Spyrakis;Donald J. Abraham

  • A novel polyester hydrolase from the marine bacterium Pseudomonas aestusnigri -structural and functional insights

    Alexander Bollinger;Stephan Thies;Esther Knieps-Grünhagen;Christoph Gertzen

  • Statistical potentials and scoring functions applied to protein-ligand binding.

    Holger Gohlke;Gerhard Klebe

  • PACKMOL-Memgen: A Simple-To-Use, Generalized Workflow for Membrane-Protein-Lipid-Bilayer System Building.

    Stephan Schott-Verdugo;Holger Gohlke;Holger Gohlke

  • Targeting protein-protein interactions with small molecules: challenges and perspectives for computational binding epitope detection and ligand finding

    Domingo González-Ruiz;Holger Gohlke

  • Histone Deacetylase (HDAC) Inhibitors with a Novel Connecting Unit Linker Region Reveal a Selectivity Profile for HDAC4 and HDAC5 with Improved Activity against Chemoresistant Cancer Cells

    Linda Marek;Alexandra Hamacher;Finn K Hansen;Krystina Kuna

  • DrugScorePPI webserver: fast and accurate in silico alanine scanning for scoring protein–protein interactions

    Dennis M. Krüger;Holger Gohlke

  • Protein rigidity and thermophilic adaptation

    Sebastian Radestock;Holger Gohlke

  • Quantitative FRET studies and integrative modeling unravel the structure and dynamics of biomolecular systems

    Mykola Dimura;Thomas O Peulen;Christian A Hanke;Aiswaria Prakash

  • Time-resolved structural analysis of an RNA-cleaving DNA catalyst

    Unknown

  • A Natural Coarse Graining for Simulating Large Biomolecular Motion

    Holger Gohlke;Michael Thorpe

Frequent Co-Authors

Dieter Häussinger
Dieter Häussinger Heinrich Heine University Düsseldorf
Claus A.M. Seidel
Claus A.M. Seidel Heinrich Heine University Düsseldorf
Karl-Erich Jaeger
Karl-Erich Jaeger Heinrich Heine University Düsseldorf
Gerhard Klebe
Gerhard Klebe Philipp University of Marburg
Matthias U. Kassack
Matthias U. Kassack Heinrich Heine University Düsseldorf
Dieter Willbold
Dieter Willbold Forschungszentrum Jülich
Arndt Borkhardt
Arndt Borkhardt Heinrich Heine University Düsseldorf
Peter Proksch
Peter Proksch Heinrich Heine University Düsseldorf
Ulrich Schwaneberg
Ulrich Schwaneberg RWTH Aachen University
David A. Case
David A. Case Rutgers, The State University of New Jersey

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