Andrea Volkamer

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 27

Top Topics

Protein Protein

Molecular Dynamics

Top Venues

Journal of chemical information and modeling

Journal of cheminformatics

Chemical communications (Cambridge, England)

International journal of molecular sciences

This page only lists publications with an associated author ORCID identifier.

Publications

Ioulia Antonia Exapicheidou, Atanaz Shams, Hamza Ibrahim, Aleksei Tsarenko, Michael Backenköhler, Mostafa M Hamed, Eleonora Diamanti, Andrea Volkamer, Dirk J Slotboom, Anna Katharina Herta Hirsch
Hit optimization by dynamic combinatorial chemistry on Streptococcus pneumoniae energy-coupling factor transporter ECF-PanT. Chemical communications (Cambridge, England) (2024)
Afnan Sultan, Jochen Sieg, Miriam Mathea, Andrea Volkamer
Transformers for Molecular Property Prediction: Lessons Learned from the Past Five Years. Journal of chemical information and modeling 64 (16) (2024)
Michael Backenköhler, Joschka Groß, Verena Wolf, Andrea Volkamer
Guided Docking as a Data Generation Approach Facilitates Structure-Based Machine Learning on Kinases. Journal of chemical information and modeling 64 (10) (2024)
Michael Backenköhler, Joschka Groß, Verena Wolf, Andrea Volkamer
Guided Docking as a Data Generation Approach Facilitates Structure-Based Machine Learning on Kinases. Journal of chemical information and modeling (2024)
Ioulia Antonia Exapicheidou, Atanaz Shams, Hamza Ibrahim, Aleksei Tsarenko, Michael Backenköhler, Mostafa M Hamed, Eleonora Diamanti, Andrea Volkamer, Dirk J Slotboom, Anna Katharina Herta Hirsch
Hit optimization by dynamic combinatorial chemistry on Streptococcus pneumoniae energy-coupling factor transporter ECF-PanT. Chemical communications (Cambridge, England) 60 (7) (2024)
Ioulia Antonia Exapicheidou, Atanaz Shams, Hamza Ibrahim, Aleksei Tsarenko, Michael Backenköhler, Mostafa M Hamed, Eleonora Diamanti, Andrea Volkamer, Dirk J Slotboom, Anna Katharina Herta Hirsch
Hit optimization by dynamic combinatorial chemistry on Streptococcus pneumoniae energy-coupling factor transporter ECF-PanT. Chemical communications (Cambridge, England) 60 (7) (2024)
Afnan Sultan, Jochen Sieg, Miriam Mathea, Andrea Volkamer
Transformers for Molecular Property Prediction: Lessons Learned from the Past Five Years. Journal of chemical information and modeling (2024)
David Schaller, Clara D Christ, John D Chodera, Andrea Volkamer
Benchmarking Cross-Docking Strategies for Structure-Informed Machine Learning in Kinase Drug Discovery. bioRxiv : the preprint server for biology (2023)
Dominique Sydow, Jaime Rodríguez-Guerra Pedregal, Talia B Kimber, David Schaller, Thorsten Stumpf, Yonghui Chen, Mareike Leja, Sakshi Misra, Michele Wichmann, Armin Ariamajd, Andrea Volkamer
TeachOpenCADD 2022: open source and FAIR Python pipelines to assist in structural bioinformatics and cheminformatics research. Nucleic acids research (2022)
Dominique Sydow, Eva Aßmann, Albert Jelke Kooistra, Friedrich Rippmann, Andrea Volkamer
KiSSim: Predicting Off-Targets from Structural Similarities in the Kinome. Journal of chemical information and modeling 62 (10) (2022)
Eva Schaller, Andi Ma, Lisa Chiara Gosch, Adrian Klefenz, David Schaller, Nils Goehringer, Leonard Kaps, Detlef Schuppan, Andrea Volkamer, Rainer Schobert, Bernhard Biersack, Bianca Nitzsche, Michael Höpfner
New 3-Aryl-2-(2-thienyl)acrylonitriles with High Activity Against Hepatoma Cells. International journal of molecular sciences 22 (5) (2021)
Angela Corona, Sebastian Seibt, David Schaller, Rainer Schobert, Andrea Volkamer, Bernhard Biersack, Enzo Tramontano
Garcinol from Garcinia indica inhibits HIV-1 reverse transcriptase-associated ribonuclease H. Archiv der Pharmazie 354 (9) (2021)
Andrea Morger, Fredrik Svensson, Staffan Arvidsson McShane, Niharika Gauraha, Ulf Norinder, Ola Spjuth, Andrea Volkamer
Assessing the calibration in toxicological in vitro models with conformal prediction. Journal of cheminformatics 13 (1) (2021)
Talia B Kimber, Yonghui Chen, Andrea Volkamer
Deep Learning in Virtual Screening: Recent Applications and Developments. International journal of molecular sciences 22 (9) (2021)
Denis Schmidt, Magdalena M Scharf, Dominique Sydow, Eva Aßmann, Maria Martí-Solano, Marina Keul, Andrea Volkamer, Peter Kolb
Analyzing Kinase Similarity in Small Molecule and Protein Structural Space to Explore the Limits of Multi-Target Screening. Molecules (Basel, Switzerland) 26 (3) (2021)
Marina Garcia de Lomana, Andrea Andrews-Morger, Ulf Norinder, Roland Buesen, Robert Landsiedel, Andrea Volkamer, Johannes Kirchmair, Miriam Mathea
ChemBioSim: Enhancing Conformal Prediction of In Vivo Toxicity by Use of Predicted Bioactivities. Journal of chemical information and modeling 61 (7) (2021)
Steven K Albanese, John D Chodera, Andrea Volkamer, Simon Keng, Robert Abel, Lingle Wang
Is Structure-Based Drug Design Ready for Selectivity Optimization? Journal of chemical information and modeling 60 (12) (2020)
Yelena Mostinski, Guus J J E Heynen, Maria Pascual López-Alberca, Jerome Paul, Sandra Miksche, Silke Radetzki, David Schaller, Elena Shanina, Carola Seyffarth, Yuliya Kolomeets, Nandor Ziebart, Judith de Schryver, Sylvia Oestreich, Martin Neuenschwander, Yvette Roske, Udo Heinemann, Christoph Rademacher, Andrea Volkamer, Jens Peter von Kries, Walter Birchmeier, Marc Nazare
From Pyrazolones to Azaindoles: Evolution of Active-Site SHP2 Inhibitors Based on Scaffold Hopping and Bioisosteric Replacement. Journal of medicinal chemistry 63 (23) (2020)
Henry E Webel, Talia B Kimber, Silke Radetzki, Martin Neuenschwander, Marc Nazare, Andrea Volkamer
Revealing cytotoxic substructures in molecules using deep learning. Journal of computer-aided molecular design 34 (7) (2020)
Dominique Sydow, Paula Schmiel, Jérémie Mortier, Andrea Volkamer
KinFragLib: Exploring the Kinase Inhibitor Space Using Subpocket-Focused Fragmentation and Recombination. Journal of chemical information and modeling 60 (12) (2020)
Andrea Andrews-Morger, Miriam Mathea, Janosch H Achenbach, Antje Wolf, Roland Buesen, Klaus-Juergen Schleifer, Robert Landsiedel, Andrea Volkamer
KnowTox: pipeline and case study for confident prediction of potential toxic effects of compounds in early phases of development. Journal of cheminformatics 12 (1) (2020)
Dominique Sydow, Andrea Andrews-Morger, Maximilian Driller, Andrea Volkamer
TeachOpenCADD: a teaching platform for computer-aided drug design using open source packages and data. Journal of cheminformatics 11 (1) (2019)
Dominique Sydow, Michele Wichmann, Jaime Rodríguez-Guerra Pedregal, Daria Goldmann, Gregory A Landrum, Andrea Volkamer
TeachOpenCADD-KNIME: A Teaching Platform for Computer-Aided Drug Design Using KNIME Workflows. Journal of chemical information and modeling 59 (10) (2019)
Dominique Sydow, Lindsey Burggraaff, Angelika Szengel, Herman W T van Vlijmen, Adriaan P IJzerman, Gerard van Westen, Andrea Volkamer
Advances and Challenges in Computational Target Prediction. Journal of chemical information and modeling 59 (5) (2019)
Florian Schmitt, Lisa Chiara Gosch, Alexandra Dittmer, Matthias Rothemund, Thomas Mueller, Rainer Schobert, Bernhard Biersack, Andrea Volkamer, Michael Höpfner
Oxazole-Bridged Combretastatin A-4 Derivatives with Tethered Hydroxamic Acids: Structure⁻Activity Relations of New Inhibitors of HDAC and/or Tubulin Function. International journal of molecular sciences 20 (2) (2019)
Jens Schoene, Thais Gazzi, Peter Lindemann, Mathias Christmann, Andrea Volkamer, Marc Nazare
Probing 2H-Indazoles as Templates for SGK1, Tie2, and SRC Kinase Inhibitors. ChemMedChem 14 (16) (2019)
Jérémie Mortier, Pratik Dhakal, Andrea Volkamer
Truly Target-Focused Pharmacophore Modeling: A Novel Tool for Mapping Intermolecular Surfaces. Molecules (Basel, Switzerland) 23 (8) (2018)