Holger Gohlke

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 108

Top Venues

Journal of chemical information and modeling

Journal of chemical theory and computation

Scientific reports

Journal of the American Chemical Society

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

Publications

Chaohui Lin, Edmund Osei Kuffour, Taolan Li, Christoph G W Gertzen, Jesko Kaiser, Tom Luedde, Renate König, Holger Gohlke, Carsten Münk
The ISG15-Protease USP18 Is a Pleiotropic Enhancer of HIV-1 Replication. Viruses 16 (4) (2024)
Daniel Becker, Prasad V Bharatam, Holger Gohlke
Molecular Mechanisms Underlying Single Nucleotide Polymorphism-Induced Reactivity Decrease in CYP2D6. Journal of chemical information and modeling 64 (15) (2024)
Daniel Becker, Prasad V Bharatam, Holger Gohlke
Molecular Mechanisms Underlying Single Nucleotide Polymorphism-Induced Reactivity Decrease in CYP2D6. Journal of chemical information and modeling (2024)
Daniel Becker, Prasad V Bharatam, Holger Gohlke
Molecular Mechanisms Underlying Single Nucleotide Polymorphism-Induced Reactivity Decrease in CYP2D6. Journal of chemical information and modeling 64 (15) (2024)
Chaohui Lin, Edmund Osei Kuffour, Taolan Li, Christoph G W Gertzen, Jesko Kaiser, Tom Luedde, Renate König, Holger Gohlke, Carsten Münk
The ISG15-Protease USP18 Is a Pleiotropic Enhancer of HIV-1 Replication. Viruses 16 (4) (2024)
Chaohui Lin, Edmund Osei Kuffour, Taolan Li, Christoph G W Gertzen, Jesko Kaiser, Tom Luedde, Renate König, Holger Gohlke, Carsten Münk
The ISG15-Protease USP18 Is a Pleiotropic Enhancer of HIV-1 Replication. Viruses 16 (4) (2024)
Birte Schmitz, Benedikt Frieg, Nadine Homeyer, Gisela Jessen, Holger Gohlke
Extracting binding energies and binding modes from biomolecular simulations of fragment binding to endothiapepsin. Archiv der Pharmazie (2024)
Rocco Gentile, Matea Modric, Björn Thiele, Karl-Erich Jaeger, Filip Kovacic, Stephan Schott-Verdugo, Holger Gohlke
Molecular Mechanisms Underlying Medium-Chain Free Fatty Acid-Regulated Activity of the Phospholipase PlaF from Pseudomonas aeruginosa . JACS Au 4 (3) (2024)
Birte Schmitz, Benedikt Frieg, Nadine Homeyer, Gisela Jessen, Holger Gohlke
Extracting binding energies and binding modes from biomolecular simulations of fragment binding to endothiapepsin. Archiv der Pharmazie 357 (5) (2024)
Rocco Gentile, Matea Modric, Björn Thiele, Karl-Erich Jaeger, Filip Kovacic, Stephan Schott-Verdugo, Holger Gohlke
Molecular Mechanisms Underlying Medium-Chain Free Fatty Acid-Regulated Activity of the Phospholipase PlaF from Pseudomonas aeruginosa . JACS Au 4 (3) (2024)
Laura S Pradel, Yu-Lin Ho, Holger Gohlke, Matthias Ulrich Kassack
The Antioxidant and HDAC-Inhibitor α-Lipoic Acid Is Synergistic with Exemestane in Estrogen Receptor-Positive Breast Cancer Cells. International journal of molecular sciences 25 (15) (2024)
Chaohui Lin, Edmund Osei Kuffour, Taolan Li, Christoph G W Gertzen, Jesko Kaiser, Tom Luedde, Renate König, Holger Gohlke, Carsten Münk
The ISG15-Protease USP18 Is a Pleiotropic Enhancer of HIV-1 Replication. Viruses 16 (4) (2024)
Laura S Pradel, Yu-Lin Ho, Holger Gohlke, Matthias Ulrich Kassack
The Antioxidant and HDAC-Inhibitor α-Lipoic Acid Is Synergistic with Exemestane in Estrogen Receptor-Positive Breast Cancer Cells. International journal of molecular sciences 25 (15) (2024)
Nina Becker, Benedikt Frieg, Lothar Gremer, Tatsiana Kupreichyk, Luis Gardon, Patrick Freiburg, Philipp Neudecker, Dieter Willbold, Holger Gohlke, Henrike Heise
Atomic Resolution Insights into pH Shift Induced Deprotonation Events in LS-Shaped Aβ(1-42) Amyloid Fibrils. Journal of the American Chemical Society 145 (4) (2023)
Nina Becker, Benedikt Frieg, Lothar Gremer, Tatsiana Kupreichyk, Luis Gardon, Patrick Freiburg, Philipp Neudecker, Dieter Willbold, Holger Gohlke, Henrike Heise
Atomic Resolution Insights into pH Shift Induced Deprotonation Events in LS-Shaped Aβ(1-42) Amyloid Fibrils. Journal of the American Chemical Society 145 (4) (2023)
Mona Haase, Benoit David, Beatrix Paschold, Thomas Classen, Pascal Schneider, Nadiia Pozhydaieva, Holger Gohlke, Jörg Pietruszka
Application of the C3-Methyltransferase StspM1 for the Synthesis of the Natural Pyrroloindole Motif. ACS catalysis 14 (1) (2023)
Giuseppina La Sala, Christopher Pfleger, Helena Käck, Lisa Wissler, Philip Nevin, Kerstin Böhm, Jon Paul Janet, Marianne Schimpl, Christopher J Stubbs, Marco De Vivo, Christian Tyrchan, Anders Hogner, Holger Gohlke, Andrey I Frolov
Combining structural and coevolution information to unveil allosteric sites. Chemical science 14 (25) (2023)
Mona Haase, Benoit David, Beatrix Paschold, Thomas Classen, Pascal Schneider, Nadiia Pozhydaieva, Holger Gohlke, Jörg Pietruszka
Application of the C3-Methyltransferase StspM1 for the Synthesis of the Natural Pyrroloindole Motif. ACS catalysis 14 (1) (2023)
Nina Becker, Benedikt Frieg, Lothar Gremer, Tatsiana Kupreichyk, Luis Gardon, Patrick Freiburg, Philipp Neudecker, Dieter Willbold, Holger Gohlke, Henrike Heise
Atomic Resolution Insights into pH Shift Induced Deprotonation Events in LS-Shaped Aβ(1-42) Amyloid Fibrils. Journal of the American Chemical Society 145 (4) (2023)
Nina Becker, Benedikt Frieg, Lothar Gremer, Tatsiana Kupreichyk, Luis Gardon, Patrick Freiburg, Philipp Neudecker, Dieter Willbold, Holger Gohlke, Henrike Heise
Atomic Resolution Insights into pH Shift Induced Deprotonation Events in LS-Shaped Aβ(1-42) Amyloid Fibrils. Journal of the American Chemical Society 145 (4) (2023)
Thomas O Peulen, Carola S Hengstenberg, Ralf Biehl, Mykola Dimura, Charlotte Lorenz, Alessandro Valeri, Julian Folz, Christian A Hanke, Semra Ince, Tobias Vöpel, Bela Farago, Holger Gohlke, Johann P Klare, Andreas Maximilian Stadler, Claus A M Seidel, Christian Herrmann
Integrative dynamic structural biology unveils conformers essential for the oligomerization of a large GTPase. eLife 12 (2023)
Fathoni A Musyaffa, Kirsten Rapp, Holger Gohlke
LISTER: Semiautomatic Metadata Extraction from Annotated Experiment Documentation in eLabFTW. Journal of chemical information and modeling (2023)
Nina Becker, Benedikt Frieg, Lothar Gremer, Tatsiana Kupreichyk, Luis Gardon, Patrick Freiburg, Philipp Neudecker, Dieter Willbold, Holger Gohlke, Henrike Heise
Atomic Resolution Insights into pH Shift Induced Deprotonation Events in LS-Shaped Aβ(1-42) Amyloid Fibrils. Journal of the American Chemical Society 145 (4) (2023)
Karel J van der Weg, Holger Gohlke
TopEnzyme: a framework and database for structural coverage of the functional enzyme space. Bioinformatics (Oxford, England) 39 (3) (2023)
Jonas Dittrich, Milana Popara, Jakub Kubiak, Mykola Dimura, Bastian Schepers, Neha Verma, Birte Schmitz, Peter Dollinger, Filip Kovacic, Karl-Erich Jaeger, Claus A M Seidel, Thomas-Otavio Peulen, Holger Gohlke
Resolution of Maximum Entropy Method-Derived Posterior Conformational Ensembles of a Flexible System Probed by FRET and Molecular Dynamics Simulations. Journal of chemical theory and computation (2023)
David A Case, Hasan Metin Aktulga, Kellon Belfon, David S Cerutti, Gerardo Andrés Cisneros, Vinícius Wilian D Cruzeiro, Negin Forouzesh, Timothy J Giese, Andreas W Götz, Holger Gohlke, Saeed Izadi, Koushik Kasavajhala, Mehmet C Kaymak, Edward King, Tom Kurtzman, Tai-Sung Lee, Pengfei Li, Jian Liu, Tyler Luchko, Ray Luo, Madushanka Manathunga, Matías R Machado, Hai Minh Nguyen, Kurt A O'Hearn, Alexey V Onufriev, Feng Pan, Sergio Pantano, Ruxi Qi, Ali Rahnamoun, Ali Risheh, Stephan Schott-Verdugo, Akhil Shajan, Jason Swails, Junmei Wang, Haixin Wei, Xiongwu Wu, Yongxian Wu, Shi Zhang, Shiji Zhao, Qiang Zhu, Thomas E Cheatham, Daniel R Roe, Adrian E Roitberg, Carlos L Simmerling, Darrin M York, Maria C Nagan, Kenneth M Merz
AmberTools. Journal of chemical information and modeling (2023)
Giuseppina La Sala, Christopher Pfleger, Helena Käck, Lisa Wissler, Philip Nevin, Kerstin Böhm, Jon Paul Janet, Marianne Schimpl, Christopher J Stubbs, Marco De Vivo, Christian Tyrchan, Anders Hogner, Holger Gohlke, Andrey I Frolov
Combining structural and coevolution information to unveil allosteric sites. Chemical science 14 (25) (2023)
Nina Becker, Benedikt Frieg, Lothar Gremer, Tatsiana Kupreichyk, Luis Gardon, Patrick Freiburg, Philipp Neudecker, Dieter Willbold, Holger Gohlke, Henrike Heise
Atomic Resolution Insights into pH Shift Induced Deprotonation Events in LS-Shaped Aβ(1-42) Amyloid Fibrils. Journal of the American Chemical Society 145 (4) (2023)
Giuseppina La Sala, Christopher Pfleger, Helena Käck, Lisa Wissler, Philip Nevin, Kerstin Böhm, Jon Paul Janet, Marianne Schimpl, Christopher J Stubbs, Marco De Vivo, Christian Tyrchan, Anders Hogner, Holger Gohlke, Andrey I Frolov
Combining structural and coevolution information to unveil allosteric sites. Chemical science 14 (25) (2023)
Nina Becker, Benedikt Frieg, Lothar Gremer, Tatsiana Kupreichyk, Luis Gardon, Patrick Freiburg, Philipp Neudecker, Dieter Willbold, Holger Gohlke, Henrike Heise
Atomic Resolution Insights into pH Shift Induced Deprotonation Events in LS-Shaped Aβ(1-42) Amyloid Fibrils. Journal of the American Chemical Society (2023)
Karel J van der Weg, Holger Gohlke
TopEnzyme: a framework and database for structural coverage of the functional enzyme space. Bioinformatics (Oxford, England) 39 (3) (2023)
Anne Schedel, Ulrike Anne Friedrich, Mina N F Morcos, Rabea Wagener, Juha Mehtonen, Titus Watrin, Claudia Saitta, Triantafyllia Brozou, Pia Michler, Carolin Walter, Asta Försti, Arka Baksi, Maria Menzel, Peter Horak, Nagarajan Paramasivam, Grazia Fazio, Robert J Autry, Stefan Fröhling, Meinolf Suttorp, Christoph Gertzen, Holger Gohlke, Sanil Bhatia, Karin Wadt, Kjeld Schmiegelow, Martin Dugas, Daniela Richter, Hanno Glimm, Merja Heinäniemi, Rolf Jessberger, Gianni Cazzaniga, Arndt Borkhardt, Julia Hauer, Franziska Auer
Recurrent Germline Variant in RAD21 Predisposes Children to Lymphoblastic Leukemia or Lymphoma. International journal of molecular sciences 23 (9) (2022)
Mahesh Kondapuram, Benedikt Frieg, Sezin Yüksel, Tina Schwabe, Christian Sattler, Marco Lelle, Andrea Schweinitz, Ralf Schmauder, Klaus Benndorf, Holger Gohlke, Jana Kusch
Functional and structural characterization of interactions between opposite subunits in HCN pacemaker channels. Communications biology 5 (1) (2022)
Alexander Berger, Talea Knak, Anna-Lene Kiffe-Delf, Korana Mudrovcic, Vinayak Singh, Mathew Njoroge, Bjoern Bengt Burckhardt, Mohanraj Gopalswamy, Beate Lungerich, Lutz Ackermann, Holger Gohlke, Kelly Chibale, Rainer Kalscheuer, Thomas Kurz
Total Synthesis of the Antimycobacterial Natural Product Chlorflavonin and Analogs via a Late-Stage Ruthenium(II)-Catalyzed ortho -C(sp 2 )-H-Hydroxylation. Pharmaceuticals (Basel, Switzerland) 15 (8) (2022)
Jonas Dittrich, Christin Brethauer, Liudmyla Goncharenko, Jens Bührmann, Viktoria Zeisler-Diehl, Shyam Pariyar, Felix Jakob, Tetiana Kurkina, Lukas Schreiber, Ulrich Schwaneberg, Holger Gohlke
Rational Design Yields Molecular Insights on Leaf-Binding of Anchor Peptides. ACS applied materials & interfaces 14 (25) (2022)
Florian Bleffert, Joachim Granzin, Muttalip Caliskan, Stephan N Schott-Verdugo, Meike Siebers, Björn Thiele, Laurence G Rahme, Sebastian Felgner, Peter Dörmann, Holger Gohlke, Renu Batra-Safferling, Karl-Erich Jaeger, Filip Kovacic
Structural, mechanistic, and physiological insights into phospholipase A-mediated membrane phospholipid degradation in Pseudomonas aeruginosa . eLife 11 (2022)
Annika Behrendt, Pegah Golchin, Filip König, Daniel Mulnaes, Amelie Stalke, Carola Dröge, Verena Keitel, Holger Gohlke
Vasor: Accurate prediction of variant effects for amino acid substitutions in multidrug resistance protein 3. Hepatology communications 6 (11) (2022)
Till El Harrar, Holger Gohlke
Cumulative Millisecond-Long Sampling for a Comprehensive Energetic Evaluation of Aqueous Ionic Liquid Effects on Amino Acid Interactions. Journal of chemical information and modeling 63 (1) (2022)
Kumaresan Jayaraman, Natalia Trachtmann, Georg A Sprenger, Holger Gohlke
Protein engineering for feedback resistance in 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase. Applied microbiology and biotechnology 106 (19-20) (2022)
Anandi Kugele, Buket Uzun, Lena Müller, Stephan Schott-Verdugo, Holger Gohlke, Georg Groth, Malte Drescher
Mapping the helix arrangement of the reconstituted ETR1 ethylene receptor transmembrane domain by EPR spectroscopy. RSC advances 12 (12) (2022)
Till El Harrar, Holger Gohlke
Cumulative Millisecond-Long Sampling for a Comprehensive Energetic Evaluation of Aqueous Ionic Liquid Effects on Amino Acid Interactions. Journal of chemical information and modeling (2022)
Till El Harrar, Holger Gohlke
Cumulative Millisecond-Long Sampling for a Comprehensive Energetic Evaluation of Aqueous Ionic Liquid Effects on Amino Acid Interactions. Journal of chemical information and modeling 63 (1) (2022)
Jan Borggräfe, Christoph G W Gertzen, Aldino Viegas, Holger Gohlke, Manuel Etzkorn
The architecture of the 10-23 DNAzyme and its implications for DNA-mediated catalysis. The FEBS journal (2022)
Paul Ramp, Christopher Pfleger, Jonas Dittrich, Christina Mack, Holger Gohlke, Michael Bott
Physiological, Biochemical, and Structural Bioinformatic Analysis of the Multiple Inositol Dehydrogenases from Corynebacterium glutamicum. Microbiology spectrum 10 (5) (2022)
Till El Harrar, Holger Gohlke
Cumulative Millisecond-Long Sampling for a Comprehensive Energetic Evaluation of Aqueous Ionic Liquid Effects on Amino Acid Interactions. Journal of chemical information and modeling 63 (1) (2022)
Benedikt Frieg, Boris Görg, Holger Gohlke, Dieter Häussinger
Glutamine synthetase as a central element in hepatic glutamine and ammonia metabolism: novel aspects. Biological chemistry 402 (9) (2021)
Bastian Schepers, Holger Gohlke
AMBER-DYES in AMBER: Implementation of fluorophore and linker parameters into AmberTools. The Journal of chemical physics 152 (22) (2021)
Andrzej Szewczak-Harris, Manuel Wagner, Dijun Du, Stefanie Raschka, Lea-Marie Nentwig, Holger Gohlke, Sander H J Smits, Ben F Luisi, Lutz Schmitt
Structure and efflux mechanism of the yeast pleiotropic drug resistance transporter Pdr5. Nature communications 12 (1) (2021)
Daniel Mulnaes, Filip Koenig, Holger Gohlke
TopSuite Web Server: A Meta-Suite for Deep-Learning-Based Protein Structure and Quality Prediction. Journal of chemical information and modeling 61 (2) (2021)
Michele Bonus, Dieter Häussinger, Holger Gohlke
Liver cell hydration and integrin signaling. Biological chemistry 402 (9) (2021)
Daniel Mulnaes, Stephan Schott-Verdugo, Filip Koenig, Holger Gohlke
TopProperty: Robust Metaprediction of Transmembrane and Globular Protein Features Using Deep Neural Networks. Journal of chemical theory and computation 17 (11) (2021)
Benoit David, Pascal Schneider, Philipp Schäfer, Jörg Pietruszka, Holger Gohlke
Discovery of new acetylcholinesterase inhibitors for Alzheimer's disease: virtual screening and in vitro characterisation. Journal of enzyme inhibition and medicinal chemistry 36 (1) (2021)
Daniel Mulnaes, Pegah Golchin, Filip Koenig, Holger Gohlke
TopDomain: Exhaustive Protein Domain Boundary Metaprediction Combining Multisource Information and Deep Learning. Journal of chemical theory and computation 17 (7) (2021)
Daniel Becker, Prasad V Bharatam, Holger Gohlke
F/G Region Rigidity is Inversely Correlated to Substrate Promiscuity of Human CYP Isoforms Involved in Metabolism. Journal of chemical information and modeling 61 (8) (2021)
Ananda Ayyappan Jaguva Vasudevan, Daniel Becker, Tom Luedde, Holger Gohlke, Carsten Münk
Foamy Viruses, Bet, and APOBEC3 Restriction. Viruses 13 (3) (2021)
Carlos Navarro-Retamal, Stephan N Schott-Verdugo, Holger Gohlke, Ingo Dreyer
Computational Analyses of the AtTPC1 (Arabidopsis Two-Pore Channel 1) Permeation Pathway. International journal of molecular sciences 22 (19) (2021)
Jana Schirmeyer, Sabine Hummert, Thomas Eick, Eckhard Schulz, Tina Schwabe, Gunter Ehrlich, Taulant Kukaj, Melanie Wiegand, Christian Sattler, Ralf Schmauder, Thomas Zimmer, Nisa Kosmalla, Jan L Münch, Michele Bonus, Holger Gohlke, Klaus Benndorf
Thermodynamic profile of mutual subunit control in a heteromeric receptor. Proceedings of the National Academy of Sciences of the United States of America 118 (30) (2021)
Christina Nutschel, Cristina Coscolín, Benoit David, Daniel Mulnaes, Manuel Ferrer, Karl-Erich Jaeger, Holger Gohlke
Promiscuous Esterases Counterintuitively Are Less Flexible than Specific Ones. Journal of chemical information and modeling 61 (5) (2021)
Lion Konstantin Flachbart, Christoph Gerhard Wilhelm Gertzen, Holger Gohlke, Jan Marienhagen
Development of a Biosensor Platform for Phenolic Compounds Using a Transition Ligand Strategy. ACS synthetic biology 10 (8) (2021)
Sabahuddin Ahmad, Christoph Heinrich Strunk, Stephan N Schott-Verdugo, Karl-Erich Jaeger, Filip Kovacic, Holger Gohlke
Substrate Access Mechanism in a Novel Membrane-Bound Phospholipase A of Pseudomonas aeruginosa Concordant with Specificity and Regioselectivity. Journal of chemical information and modeling 61 (11) (2021)
Jacob Moe-Lange, Nicoline M Gappel, Mackenzie Machado, Michael M Wudick, Cosima S A Sies, Stephan N Schott-Verdugo, Michele Bonus, Swastik Mishra, Thomas Hartwig, Margaret Bezrutczyk, Debarati Basu, Edward E Farmer, Holger Gohlke, Andrey Victorovich Malkovskiy, Elizabeth S Haswell, Martin J Lercher, David W Ehrhardt, Wolf B Frommer, Thomas J Kleist
Interdependence of a mechanosensitive anion channel and glutamate receptors in distal wound signaling. Science advances 7 (37) (2021)
Laura Schmitt, Ilka Hinxlage, Pablo A Cea, Holger Gohlke, Sebastian Wesselborg
40 Years of Research on Polybrominated Diphenyl Ethers (PBDEs)-A Historical Overview and Newest Data of a Promising Anticancer Drug. Molecules (Basel, Switzerland) 26 (4) (2021)
Christoph G W Gertzen, Holger Gohlke, Dieter Häussinger, Diran Herebian, Verena Keitel, Ralf Kubitz, Ertan Mayatepek, Lutz Schmitt
The many facets of bile acids in the physiology and pathophysiology of the human liver. Biological chemistry 402 (9) (2021)
Chaitanya Kumar Jaladanki, Samima Khatun, Holger Gohlke, Prasad V Bharatam
Reactive Metabolites from Thiazole-Containing Drugs: Quantum Chemical Insights into Biotransformation and Toxicity. Chemical research in toxicology 34 (6) (2021)
Mykola Dimura, Thomas-Otavio Peulen, Hugo Sanabria, Dmitro Rodnin, Katherina Hemmen, Christian A Hanke, Claus A M Seidel, Holger Gohlke
Automated and optimally FRET-assisted structural modeling. Nature communications 11 (1) (2020)
Frederik Barbarino, Lucas Wäschenbach, Virginia Cavalho-Lemos, Melissa Dillenberger, Katja Becker, Holger Gohlke, Miriam M Cortese-Krott
Targeting spectrin redox switches to regulate the mechanoproperties of red blood cells. Biological chemistry 402 (3) (2020)
Linda Liedgens, Jannik Zimmermann, Lucas Wäschenbach, Fabian Geissel, Hugo Laporte, Holger Gohlke, Bruce Morgan, Marcel Deponte
Quantitative assessment of the determinant structural differences between redox-active and inactive glutaredoxins. Nature communications 11 (1) (2020)
Fabia Furtmann, Nicola Porta, Dai Tri Hoang, Jens Reiners, Julia Schumacher, Julia Gottstein, Holger Gohlke, Sander H J Smits
Characterization of the nucleotide-binding domain NsrF from the BceAB-type ABC-transporter NsrFP from the human pathogen Streptococcus agalactiae. Scientific reports 10 (1) (2020)
Benedikt Frieg, Boris Görg, Natalia Qvartskhava, Thomas Jeitner, Nadine Homeyer, Dieter Häussinger, Holger Gohlke
Mechanism of Fully Reversible, pH-Sensitive Inhibition of Human Glutamine Synthetase by Tyrosine Nitration. Journal of chemical theory and computation 16 (7) (2020)
Michele Bonus, Annika Sommerfeld, Natalia Qvartskhava, Boris Görg, Beatrice Stefanie Ludwig, Horst Kessler, Holger Gohlke, Dieter Häussinger
Evidence for functional selectivity in TUDC- and norUDCA-induced signal transduction via α5β1 integrin towards choleresis. Scientific reports 10 (1) (2020)
Augustin Penda Twizerimana, Rachel Scheck, Daniel Becker, Zeli Zhang, Marianne Wammers, Leandro Avelar, Marc Pflieger, Dieter Häussinger, Thomas Kurz, Holger Gohlke, Carsten Münk
Cell Type-Dependent Escape of Capsid Inhibitors by Simian Immunodeficiency Virus SIVcpz. Journal of virology 94 (23) (2020)
Daniel Mulnaes, Nicola Porta, Rebecca Clemens, Irina Apanasenko, Jens Reiners, Lothar Gremer, Philipp Neudecker, Sander H J Smits, Holger Gohlke
TopModel: Template-Based Protein Structure Prediction at Low Sequence Identity Using Top-Down Consensus and Deep Neural Networks. Journal of chemical theory and computation 16 (3) (2020)
Hugo Sanabria, Dmitro Rodnin, Katherina Hemmen, Thomas-Otavio Peulen, Suren Felekyan, Mark R Fleissner, Mykola Dimura, Felix Koberling, Ralf Kühnemuth, Wayne Hubbell, Holger Gohlke, Claus A M Seidel
Resolving dynamics and function of transient states in single enzyme molecules. Nature communications 11 (1) (2020)
Christina Nutschel, Alexander Fulton, Olav Zimmermann, Ulrich Schwaneberg, Karl-Erich Jaeger, Holger Gohlke
Systematically Scrutinizing the Impact of Substitution Sites on Thermostability and Detergent Tolerance for Bacillus subtilis Lipase A. Journal of chemical information and modeling 60 (3) (2020)
Stefan Klinker, Sabine Stindt, Lothar Gremer, Johannes G Bode, Christoph G W Gertzen, Holger Gohlke, Oliver H Weiergräber, Silke Hoffmann, Dieter Willbold
Phosphorylated tyrosine 93 of hepatitis C virus nonstructural protein 5A is essential for interaction with host c-Src and efficient viral replication. The Journal of biological chemistry 294 (18) (2019)
Anastasiia Bovdilova, Bruno M Alexandre, Astrid Hoeppner, Inês Matias Luís, Clarisa Ester Alvarez, David Bickel, Holger Gohlke, Christina Decker, Luitgard Nagel-Steger, Saleh Alseekh, Alisdair Robert Fernie, María Fabiana Drincovich, Isabel A Abreu, Verónica G Maurino
Posttranslational Modification of the NADP-Malic Enzyme Involved in C4 Photosynthesis Modulates the Enzymatic Activity during the Day. The Plant cell 31 (10) (2019)
Lukas Kater, Benedikt Frieg, Otto Berninghausen, Holger Gohlke, Roland Beckmann, Alexej Kedrov
Partially inserted nascent chain unzips the lateral gate of the Sec translocon. EMBO reports 20 (10) (2019)
Neha Verma, Peter Dollinger, Filip Kovacic, Karl-Erich Jaeger, Holger Gohlke
The Membrane-Integrated Steric Chaperone Lif Facilitates Active Site Opening of Pseudomonas aeruginosa Lipase A. Journal of computational chemistry 41 (6) (2019)
Angela Koch, Michele Bonus, Holger Gohlke, Nikolaj Klöcker
Isoform-specific Inhibition of N-methyl-D-aspartate Receptors by Bile Salts. Scientific reports 9 (1) (2019)
Stephan Schott-Verdugo, Holger Gohlke
PACKMOL-Memgen: A Simple-To-Use, Generalized Workflow for Membrane-Protein-Lipid-Bilayer System Building. Journal of chemical information and modeling 59 (6) (2019)
Barbara Wienen-Schmidt, Denis Schmidt, Hans-Dieter Gerber, Andreas Heine, Holger Gohlke, Gerhard Klebe
Surprising Non-Additivity of Methyl Groups in Drug-Kinase Interaction. ACS chemical biology 14 (12) (2019)
Viktoria Krieger, Alexandra Hamacher, Fangyuan Cao, Katharina Stenzel, Christoph G W Gertzen, Linda Schäker-Hübner, Thomas Kurz, Holger Gohlke, Frank J Dekker, Matthias U Kassack, Finn K Hansen
Synthesis of Peptoid-Based Class I-Selective Histone Deacetylase Inhibitors with Chemosensitizing Properties. Journal of medicinal chemistry 62 (24) (2019)
Tim Leypold, Michele Bonus, Felix Spiegelhalter, Frank Schwede, Tina Schwabe, Holger Gohlke, Jana Kusch
N 6-modified cAMP derivatives that activate protein kinase A also act as full agonists of murine HCN2 channels. The Journal of biological chemistry 294 (47) (2019)
Mariam Moussa, Weaam Ebrahim, Michele Bonus, Holger Gohlke, Attila Mándi, Tibor Kurtán, Rudolf Hartmann, Rainer Kalscheuer, Wen-Han Lin, Zhen Liu, Peter Proksch
Co-culture of the fungus Fusarium tricinctum with Streptomyces lividans induces production of cryptic naphthoquinone dimers. RSC advances 9 (3) (2019)
David Wifling, Christopher Pfleger, Jonas Kaindl, Passainte Ibrahim, Ralf C Kling, Armin Buschauer, Holger Gohlke, Timothy Clark
Basal Histamine H4 Receptor Activation: Agonist Mimicry by the Diphenylalanine Motif. Chemistry (Weinheim an der Bergstrasse, Germany) 25 (64) (2019)
Ingo Dreyer, Olivia Spitz, Kerstin Kanonenberg, Karolin Montag, Maria R Handrich, Sabahuddin Ahmad, Stephan N Schott-Verdugo, Carlos Navarro-Retamal, María E Rubio-Meléndez, Judith L Gomez-Porras, Janin Riedelsberger, Marco A Molina-Montenegro, Antonella Succurro, Alga Zuccaro, Sven B Gould, Petra Bauer, Lutz Schmitt, Holger Gohlke
Nutrient exchange in arbuscular mycorrhizal symbiosis from a thermodynamic point of view. The New phytologist 222 (2) (2019)
Lucas Wäschenbach, Christoph G W Gertzen, Verena Keitel, Holger Gohlke
Dimerization energetics of the G-protein coupled bile acid receptor TGR5 from all-atom simulations. Journal of computational chemistry 41 (9) (2019)
Denis Schmidt, Markus Boehm, Christopher L McClendon, Rubben Torella, Holger Gohlke
Cosolvent-Enhanced Sampling and Unbiased Identification of Cryptic Pockets Suitable for Structure-Based Drug Design. Journal of chemical theory and computation 15 (5) (2019)
Aline Kaletsch, Maria Pinkerneil, Michèle Janine Hoffmann, Ananda Ayyappan Jaguva Vasudevan, Chenyin Wang, Finn K Hansen, Constanze Wiek, Helmut Hanenberg, Christoph G W Gertzen, Holger Gohlke, Matthias Ulrich Kassack, Thomas Kurz, Wolfgang A Schulz, Guenter Niegisch
Effects of novel HDAC inhibitors on urothelial carcinoma cells. Clinical epigenetics 10 (1) (2018)
Jonas Dittrich, Denis Schmidt, Christopher Pfleger, Holger Gohlke
Converging a Knowledge-Based Scoring Function: DrugScore2018. Journal of chemical information and modeling 59 (1) (2018)
Maik Otte, Andrea Schweinitz, Michele Bonus, Uta Enke, Christina Schumann, Holger Gohlke, Klaus Benndorf
Hydrophobic alkyl chains substituted to the 8-position of cyclic nucleotides enhance activation of CNG and HCN channels by an intricate enthalpy - entropy compensation. Scientific reports 8 (1) (2018)
Dalibor Milić, Markus Dick, Daniel Mulnaes, Christopher Pfleger, Anna Kinnen, Holger Gohlke, Georg Groth
Recognition motif and mechanism of ripening inhibitory peptides in plant hormone receptor ETR1. Scientific reports 8 (1) (2018)
Daniel Mulnaes, Holger Gohlke
TopScore: Using Deep Neural Networks and Large Diverse Data Sets for Accurate Protein Model Quality Assessment. Journal of chemical theory and computation 14 (11) (2018)
Sanil Bhatia, Daniela Diedrich, Benedikt Frieg, Heinz Ahlert, Stefan Stein, Bertan Bopp, Franziska Lang, Tao Zang, Tobias Kröger, Thomas Ernst, Gesine Kögler, Andreas Krieg, Steffen Lüdeke, Hana Kunkel, Ana J Rodrigues Moita, Matthias U Kassack, Viktoria Marquardt, Friederike V Opitz, Marina Oldenburg, Marc Remke, Florian Babor, Manuel Grez, Andreas Hochhaus, Arndt Borkhardt, Georg Groth, Luitgard Nagel-Steger, Joachim Jose, Thomas Kurz, Holger Gohlke, Finn K Hansen, Julia Hauer
Targeting HSP90 dimerization via the C terminus is effective in imatinib-resistant CML and lacks the heat shock response. Blood 132 (3) (2018)
Nina Reßing, Viktoria Marquardt, Christoph G W Gertzen, Andrea Schöler, Alexander Schramm, Thomas Kurz, Holger Gohlke, Achim Aigner, Marc Remke, Finn K Hansen
Design, synthesis and biological evaluation of β-peptoid-capped HDAC inhibitors with anti-neuroblastoma and anti-glioblastoma activity. MedChemComm 10 (7) (2018)
Giulia Pagani, Holger Gohlke
On the contributing role of the transmembrane domain for subunit-specific sensitivity of integrin activation. Scientific reports 8 (1) (2018)
Nora Wallot-Hieke, Neha Verma, David Schlütermann, Niklas Berleth, Jana Deitersen, Philip Böhler, Fabian Stuhldreier, Wenxian Wu, Sabine Seggewiß, Christoph Peter, Holger Gohlke, Noboru Mizushima, Björn Stork
Systematic analysis of ATG13 domain requirements for autophagy induction. Autophagy 14 (5) (2018)
Christian A Hanke, Holger Gohlke
Tertiary Interactions in the Unbound Guanine-Sensing Riboswitch Focus Functional Conformational Variability on the Binding Site. Journal of chemical information and modeling 57 (11) (2017)
Viktoria Krieger, Emanuele Ciglia, Roland Thoma, Vera Vasylyeva, Benedikt Frieg, Nader de Sousa Amadeu, Thomas Kurz, Ulf Dietrich Kahlert, Holger Gohlke, Finn K Hansen
α-Aminoxy Peptoids: A Unique Peptoid Backbone with a Preference for cis-Amide Bonds. Chemistry (Weinheim an der Bergstrasse, Germany) 23 (15) (2017)
Tobias Kroeger, Benedikt Frieg, Tao Zhang, Finn K Hansen, Andreas Marmann, Peter Proksch, Luitgard Nagel-Steger, Georg Groth, Sander H J Smits, Holger Gohlke
EDTA aggregates induce SYPRO orange-based fluorescence in thermal shift assay. PloS one 12 (5) (2017)

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Holger Gohlke