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Journal of Medicinal Chemistry
|
June 24, 2014
Chasing protons: how isothermal titration calorimetry, mutagenesis, and pKa calculations trace the locus of charge in ligand binding to a tRNA-binding enzyme
Manuel Neeb, Paul Czodrowski, Andreas Heine, et al.
Scientific Reports
|
October 17, 2024
Low concentration cell painting images enable the identification of highly potent compounds
Son V Ha, Steffen Jaensch, Lorena G A Freitas, et al.
Journal of the American Chemical Society
|
April 15, 2020
Light-Activatable TET-Dioxygenases Reveal Dynamics of 5-Methylcytosine Oxidation and Transcriptome Reorganization
Shubhendu Palei, Benjamin Buchmuller, Jan Wolffgramm, et al.
Chemmedchem
|
June 18, 2025
Proton first: rationalizing a proton transfer in a protein-fragment complex
Helge Vatheuer, Jonas Paulus, Lisa Johannknecht, et al.
RSC Medicinal Chemistry
|
June 24, 2024
Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for <i>de novo</i> drug design and computational chemistry approaches
Julien Hazemann, Thierry Kimmerlin, Roland Lange, et al.
Bioorganic & Medicinal Chemistry Letters
|
August 4, 2014
Structure-based optimization of non-peptidic Cathepsin D inhibitors
Ulrich Grädler, Paul Czodrowski, Christos Tsaklakidis, et al.
Nucleic Acids Research
|
May 10, 2007
PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations
Todd J Dolinsky, Paul Czodrowski, Hui Li, et al.
Journal of Medicinal Chemistry
|
April 5, 2025
Accelerating the Hit-To-Lead Optimization of a SARS-CoV-2 Mpro Inhibitor Series by Combining High-Throughput Medicinal Chemistry and Computational Simulations
Julien Hazemann, Thierry Kimmerlin, Aengus Mac Sweeney, et al.
Journal of Chemical Information and Modeling
|
January 13, 2017
Binding Pose Flip Explained via Enthalpic and Entropic Contributions
Michael Schauperl, Paul Czodrowski, Julian E Fuchs, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 2, 2025
The euroSAMPL1 p<i>K</i><sub>a</sub> blind prediction and reproducible research data management challenge
Nicolas Tielker, Michel Lim, Patrick Kibies, et al.
Page
of 5
Search research articles
Search
Showing results (21-30 of 44) with videos related to
Sort By:
Page
of 5
Journal of Medicinal Chemistry
|
June 24, 2014
Chasing protons: how isothermal titration calorimetry, mutagenesis, and pKa calculations trace the locus of charge in ligand binding to a tRNA-binding enzyme
Manuel Neeb, Paul Czodrowski, Andreas Heine, et al.
Scientific Reports
|
October 17, 2024
Low concentration cell painting images enable the identification of highly potent compounds
Son V Ha, Steffen Jaensch, Lorena G A Freitas, et al.
Journal of the American Chemical Society
|
April 15, 2020
Light-Activatable TET-Dioxygenases Reveal Dynamics of 5-Methylcytosine Oxidation and Transcriptome Reorganization
Shubhendu Palei, Benjamin Buchmuller, Jan Wolffgramm, et al.
Chemmedchem
|
June 18, 2025
Proton first: rationalizing a proton transfer in a protein-fragment complex
Helge Vatheuer, Jonas Paulus, Lisa Johannknecht, et al.
RSC Medicinal Chemistry
|
June 24, 2024
Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for <i>de novo</i> drug design and computational chemistry approaches
Julien Hazemann, Thierry Kimmerlin, Roland Lange, et al.
Bioorganic & Medicinal Chemistry Letters
|
August 4, 2014
Structure-based optimization of non-peptidic Cathepsin D inhibitors
Ulrich Grädler, Paul Czodrowski, Christos Tsaklakidis, et al.
Nucleic Acids Research
|
May 10, 2007
PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations
Todd J Dolinsky, Paul Czodrowski, Hui Li, et al.
Journal of Medicinal Chemistry
|
April 5, 2025
Accelerating the Hit-To-Lead Optimization of a SARS-CoV-2 Mpro Inhibitor Series by Combining High-Throughput Medicinal Chemistry and Computational Simulations
Julien Hazemann, Thierry Kimmerlin, Aengus Mac Sweeney, et al.
Journal of Chemical Information and Modeling
|
January 13, 2017
Binding Pose Flip Explained via Enthalpic and Entropic Contributions
Michael Schauperl, Paul Czodrowski, Julian E Fuchs, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 2, 2025
The euroSAMPL1 p<i>K</i><sub>a</sub> blind prediction and reproducible research data management challenge
Nicolas Tielker, Michel Lim, Patrick Kibies, et al.
Page
of 5