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Annual Review of Biomedical Data Science
|
May 23, 2023
Recent Developments in Ultralarge and Structure-Based Virtual Screening Approaches
Christoph Gorgulla
Supercomputing Frontiers and Innovations
|
October 25, 2021
Accounting of Receptor Flexibility in Ultra-Large Virtual Screens with VirtualFlow Using a Grey Wolf Optimization Method
Christoph Gorgulla, Konstantin Fackeldey, Gerhard Wagner, et al.
Current Opinion in Chemical Biology
|
May 16, 2022
Emerging frontiers in virtual drug discovery: From quantum mechanical methods to deep learning approaches
Christoph Gorgulla, Abhilash Jayaraj, Konstantin Fackeldey, et al.
Journal of Cheminformatics
|
September 19, 2023
Novel multi-objective affinity approach allows to identify pH-specific μ-opioid receptor agonists
Christopher Secker, Konstantin Fackeldey, Marcus Weber, et al.
International Journal of Molecular Sciences
|
June 2, 2021
VirtualFlow Ants-Ultra-Large Virtual Screenings with Artificial Intelligence Driven Docking Algorithm Based on Ant Colony Optimization
Christoph Gorgulla, Süleyman Selim Çınaroğlu, Patrick D Fischer, et al.
Nature Communications
|
November 28, 2025
Structural pharmacology of SV2A reveals an allosteric modulation mechanism in the major facilitator superfamily
Shabareesh Pidathala, Xiao Chen, Yaxin Dai, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
December 6, 2022
Challenges for chemistry in Ukraine after the war: Ukrainian science requires rebuilding and support
Ivan S Kondratov, Yurii S Moroz, Christoph Gorgulla, et al.
ACS Chemical Biology
|
September 24, 2019
<i>N-</i>Acyl Homoserine Lactone Analog Modulators of the <i>Pseudomonas aeruginosa</i> Rhll Quorum Sensing Signal Synthase
Daniel Shin, Christoph Gorgulla, Michelle E Boursier, et al.
Molecular Therapy : the Journal of the American Society of Gene Therapy
|
March 1, 2022
A systematic approach to identify host targets and rapidly deliver broad-spectrum antivirals
Julien Olivet, Sibusiso B Maseko, Alexander N Volkov, et al.
Scientific Reports
|
February 16, 2022
Non-covalent SARS-CoV-2 M<sup>pro</sup> inhibitors developed from in silico screen hits
Giacomo G Rossetti, Marianna A Ossorio, Stephan Rempel, et al.
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Search research articles
Search
Showing results (1-10 of 24) with videos related to
Sort By:
Page
of 3
Annual Review of Biomedical Data Science
|
May 23, 2023
Recent Developments in Ultralarge and Structure-Based Virtual Screening Approaches
Christoph Gorgulla
Supercomputing Frontiers and Innovations
|
October 25, 2021
Accounting of Receptor Flexibility in Ultra-Large Virtual Screens with VirtualFlow Using a Grey Wolf Optimization Method
Christoph Gorgulla, Konstantin Fackeldey, Gerhard Wagner, et al.
Current Opinion in Chemical Biology
|
May 16, 2022
Emerging frontiers in virtual drug discovery: From quantum mechanical methods to deep learning approaches
Christoph Gorgulla, Abhilash Jayaraj, Konstantin Fackeldey, et al.
Journal of Cheminformatics
|
September 19, 2023
Novel multi-objective affinity approach allows to identify pH-specific μ-opioid receptor agonists
Christopher Secker, Konstantin Fackeldey, Marcus Weber, et al.
International Journal of Molecular Sciences
|
June 2, 2021
VirtualFlow Ants-Ultra-Large Virtual Screenings with Artificial Intelligence Driven Docking Algorithm Based on Ant Colony Optimization
Christoph Gorgulla, Süleyman Selim Çınaroğlu, Patrick D Fischer, et al.
Nature Communications
|
November 28, 2025
Structural pharmacology of SV2A reveals an allosteric modulation mechanism in the major facilitator superfamily
Shabareesh Pidathala, Xiao Chen, Yaxin Dai, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
December 6, 2022
Challenges for chemistry in Ukraine after the war: Ukrainian science requires rebuilding and support
Ivan S Kondratov, Yurii S Moroz, Christoph Gorgulla, et al.
ACS Chemical Biology
|
September 24, 2019
<i>N-</i>Acyl Homoserine Lactone Analog Modulators of the <i>Pseudomonas aeruginosa</i> Rhll Quorum Sensing Signal Synthase
Daniel Shin, Christoph Gorgulla, Michelle E Boursier, et al.
Molecular Therapy : the Journal of the American Society of Gene Therapy
|
March 1, 2022
A systematic approach to identify host targets and rapidly deliver broad-spectrum antivirals
Julien Olivet, Sibusiso B Maseko, Alexander N Volkov, et al.
Scientific Reports
|
February 16, 2022
Non-covalent SARS-CoV-2 M<sup>pro</sup> inhibitors developed from in silico screen hits
Giacomo G Rossetti, Marianna A Ossorio, Stephan Rempel, et al.
Page
of 3