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D-Index & Metrics

Biology and Biochemistry

D-Index
50
Citations
11575
World Ranking
17506
National Ranking
1209

Overview

Gerhard Wolber is affiliated with Freie Universität Berlin in Germany. Their research primarily spans the fields of Biochemistry, Genetics and Molecular Biology as well as Medicine. Within these broader disciplines, their work frequently addresses Molecular Biology, Computational Theory and Mathematics, Organic Chemistry, Pharmacology, and Immunology.

The researcher has contributed to various topics, including computational drug discovery methods, receptor mechanisms and signaling, pharmacogenetics and drug metabolism, neuropeptides and animal physiology, monoclonal and polyclonal antibodies research, immune response and inflammation, and synthesis and biological activity.

Frequent publication venues for Gerhard Wolber include bioRxiv (Cold Spring Harbor Laboratory), Journal of Chemical Information and Modeling, Molecules, European Journal of Medicinal Chemistry, and Journal of Medicinal Chemistry.

Some of their recent papers are:

  • Next generation 3D pharmacophore modeling, 2020, Wiley Interdisciplinary Reviews Computational Molecular Science
  • Design, synthesis, antibacterial activity evaluation and molecular modeling studies of new sulfonamides containing a sulfathiazole moiety, 2021, New Journal of Chemistry
  • Structural insights into understudied human cytochrome P450 enzymes, 2021, Drug Discovery Today
  • In Search for Multi-Target Ligands as Potential Agents for Diabetes Mellitus and Its Complications-A Structure-Activity Relationship Study on Inhibitors of Aldose Reductase and Protein Tyrosine Phosphatase 1B, 2021, Molecules
  • Discovery of Small-Molecule TIM-3 Inhibitors for Acute Myeloid Leukemia Using Pharmacophore-Based Virtual Screening, 2023, Journal of Medicinal Chemistry

Collaborations often involve Szymon Pach, Marcel Bermúdez, Valerij Talagayev, Clemens Alexander Wolf, and Sijie Liu.

Best Publications

  • LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters.

    Gerhard Wolber;Thierry Langer

  • Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection—What can we learn from earlier mistakes?

    Johannes Kirchmair;Patrick Markt;Simona Distinto;Gerhard Wolber

  • Efficient overlay of small organic molecules using 3D pharmacophores.

    Gerhard Wolber;Alois A. Dornhofer;Thierry Langer

  • Benzimidazol-2-ylidene Gold(I) Complexes Are Thioredoxin Reductase Inhibitors with Multiple Antitumor Properties

    Riccardo Rubbiani;Igor Kitanovic;Hamed Alborzinia;Suzan Can

  • How to optimize shape-based virtual screening: choosing the right query and including chemical information.

    Johannes Kirchmair;Simona Distinto;Patrick Markt;Daniela Schuster

  • The impact of molecular dynamics on drug design: applications for the characterization of ligand-macromolecule complexes.

    Jérémie Mortier;Christin Rakers;Marcel Bermudez;Manuela S. Murgueitio

  • Comparative performance assessment of the conformational model generators omega and catalyst: a large-scale survey on the retrieval of protein-bound ligand conformations.

    Johannes Kirchmair;Gerhard Wolber;Christian Laggner;Thierry Langer

  • Next generation 3D pharmacophore modeling

    David Schaller;Dora Šribar;Theresa Noonan;Lihua Deng

  • In silico Target Fishing for Rationalized Ligand Discovery Exemplified on Constituents of Ruta graveolens

    Judith M. Rollinger;Daniela Schuster;Birgit Danzl;Stefan Schwaiger

  • Comparative analysis of protein-bound ligand conformations with respect to catalyst's conformational space subsampling algorithms.

    Johannes Kirchmair;Christian Laggner;Gerhard Wolber;Thierry Langer

  • Design, synthesis and molecular docking study of novel quinoxalin-2(1H)-ones as anti-tumor active agents with inhibition of tyrosine kinase receptor and studying their cyclooxygenase-2 activity

    Shadia A. Galal;Sarah H.M. Khairat;Fatma A.F. Ragab;Ahmed S. Abdelsamie

  • Antiviral potential and molecular insight into neuraminidase inhibiting diarylheptanoids from Alpinia katsumadai.

    Ulrike Grienke;Michaela Schmidtke;Johannes Kirchmair;Kathrin Pfarr

  • The UV-filter benzophenone-1 inhibits 17β-hydroxysteroid dehydrogenase type 3: Virtual screening as a strategy to identify potential endocrine disrupting chemicals

    Lyubomir G. Nashev;Daniela Schuster;Christian Laggner;Seloni Sodha

  • Anthocyanin composition, antioxidant efficiency, and α-amylase inhibitor activity of different Hungarian sour cherry varieties (Prunus cerasus L.).

    Judit R. Homoki;Andrea Nemes;Erika Fazekas;Gyöngyi Gyémánt

  • The Protein Data Bank (PDB), its related services and software tools as key components for in silico guided drug discovery.

    Johannes Kirchmair;Patrick Markt;Simona Distinto;Daniela Schuster

  • Enhancing drug discovery through in silico screening: strategies to increase true positives retrieval rates.

    J. Kirchmair;S. Distinto;D. Schuster;G. Spitzer

  • In silico virtual screening approaches for anti-viral drug discovery.

    Manuela S. Murgueitio;Marcel Bermudez;Jérémie Mortier;Gerhard Wolber

  • NSC23766, a Widely Used Inhibitor of Rac1 Activation, Additionally Acts as a Competitive Antagonist at Muscarinic Acetylcholine Receptors

    Magdolna Levay;Kurt Allen Krobert;Karola Wittig;Niels Voigt

  • Selective Inhibitors of the Protein Tyrosine Phosphatase Shp2 Block Cellular Motility and Growth of Cancer Cells in Vitro and in Vivo.

    Stefanie Grosskopf;Stefanie Grosskopf;Stefanie Grosskopf;Chris Eckert;Chris Eckert;Christoph Arkona;Silke Radetzki

  • Fast and efficient in silico 3D screening: toward maximum computational efficiency of pharmacophore-based and shape-based approaches.

    Johannes Kirchmair;Stojanka Ristic;Kathrin Eder;Patrick Markt

Frequent Co-Authors

Daniela Schuster
Daniela Schuster Paracelsus Medical University
Thierry Langer
Thierry Langer University of Vienna
Hermann Stuppner
Hermann Stuppner University of Innsbruck
Klaus R. Liedl
Klaus R. Liedl University of Innsbruck
Ulrike Holzgrabe
Ulrike Holzgrabe University of Würzburg
Lars Porskjær Christensen
Lars Porskjær Christensen University of Southern Denmark
Karsten Kristiansen
Karsten Kristiansen University of Copenhagen
Ronald Gust
Ronald Gust Freie Universität Berlin
Alex Odermatt
Alex Odermatt University of Basel
Beate Koksch
Beate Koksch Freie Universität Berlin

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