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Journal of Chemical Information and Modeling
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May 24, 2019
PyRod: Tracing Water Molecules in Molecular Dynamics Simulations
David Schaller, Szymon Pach, Gerhard Wolber
Methods in Molecular Biology (Clifton, N.J.)
|
March 24, 2021
Exploiting Water Dynamics for Pharmacophore Screening
David Schaller, Szymon Pach, Marcel Bermudez, et al.
RSC Medicinal Chemistry
|
June 7, 2021
A benzoxazole derivative as an inhibitor of anaerobic choline metabolism by human gut microbiota
Moustafa T Gabr, David Machalz, Szymon Pach, et al.
Drug Discovery Today
|
June 23, 2021
Structural insights into understudied human cytochrome P450 enzymes
David Machalz, Szymon Pach, Marcel Bermudez, et al.
Molecular Informatics
|
August 11, 2021
ACE2-Variants Indicate Potential SARS-CoV-2-Susceptibility in Animals: A Molecular Dynamics Study
Szymon Pach, Trung Ngoc Nguyen, Jakob Trimpert, et al.
Journal of Medicinal Chemistry
|
August 11, 2023
Discovery of Small-Molecule TIM-3 Inhibitors for Acute Myeloid Leukemia Using Pharmacophore-Based Virtual Screening
Somaya A Abdel-Rahman, Valerij Talagayev, Szymon Pach, et al.
ACS Medicinal Chemistry Letters
|
November 20, 2024
From Virtual Screens to Cellular Target Engagement: New Small Molecule Ligands for the Immune Checkpoint LAG-3
Natalie Fuchs, Laura Calvo-Barreiro, Valerij Talagayev, et al.
Pharmaceuticals (Basel, Switzerland)
|
June 24, 2022
In Vitro, In Vivo and In Silico Characterization of a Novel Kappa-Opioid Receptor Antagonist
Kristina Puls, Aina-Leonor Olivé-Marti, Szymon Pach, et al.
Chemmedchem
|
October 16, 2023
Discovery of ICOS-Targeted Small Molecules Using Pharmacophore-Based Screening
Laura Calvo-Barreiro, Valerij Talagayev, Szymon Pach, et al.
Chemmedchem
|
February 22, 2023
A Critical Study on Acylating and Covalent Reversible Fragment Inhibitors of SARS-CoV-2 Main Protease Targeting the S1 Site with Pyridine
Rebekka Wamser, Szymon Pach, Christoph Arkona, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 16) with videos related to
Sort By:
Page
of 2
Journal of Chemical Information and Modeling
|
May 24, 2019
PyRod: Tracing Water Molecules in Molecular Dynamics Simulations
David Schaller, Szymon Pach, Gerhard Wolber
Methods in Molecular Biology (Clifton, N.J.)
|
March 24, 2021
Exploiting Water Dynamics for Pharmacophore Screening
David Schaller, Szymon Pach, Marcel Bermudez, et al.
RSC Medicinal Chemistry
|
June 7, 2021
A benzoxazole derivative as an inhibitor of anaerobic choline metabolism by human gut microbiota
Moustafa T Gabr, David Machalz, Szymon Pach, et al.
Drug Discovery Today
|
June 23, 2021
Structural insights into understudied human cytochrome P450 enzymes
David Machalz, Szymon Pach, Marcel Bermudez, et al.
Molecular Informatics
|
August 11, 2021
ACE2-Variants Indicate Potential SARS-CoV-2-Susceptibility in Animals: A Molecular Dynamics Study
Szymon Pach, Trung Ngoc Nguyen, Jakob Trimpert, et al.
Journal of Medicinal Chemistry
|
August 11, 2023
Discovery of Small-Molecule TIM-3 Inhibitors for Acute Myeloid Leukemia Using Pharmacophore-Based Virtual Screening
Somaya A Abdel-Rahman, Valerij Talagayev, Szymon Pach, et al.
ACS Medicinal Chemistry Letters
|
November 20, 2024
From Virtual Screens to Cellular Target Engagement: New Small Molecule Ligands for the Immune Checkpoint LAG-3
Natalie Fuchs, Laura Calvo-Barreiro, Valerij Talagayev, et al.
Pharmaceuticals (Basel, Switzerland)
|
June 24, 2022
In Vitro, In Vivo and In Silico Characterization of a Novel Kappa-Opioid Receptor Antagonist
Kristina Puls, Aina-Leonor Olivé-Marti, Szymon Pach, et al.
Chemmedchem
|
October 16, 2023
Discovery of ICOS-Targeted Small Molecules Using Pharmacophore-Based Screening
Laura Calvo-Barreiro, Valerij Talagayev, Szymon Pach, et al.
Chemmedchem
|
February 22, 2023
A Critical Study on Acylating and Covalent Reversible Fragment Inhibitors of SARS-CoV-2 Main Protease Targeting the S1 Site with Pyridine
Rebekka Wamser, Szymon Pach, Christoph Arkona, et al.
Page
of 2