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Drug Discovery Today. Technologies
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December 17, 2021
Fragment-to-lead tailored in silico design
Moira Rachman, Serena Piticchio, Maciej Majewski, et al.
Biorxiv : the Preprint Server for Biology
|
November 24, 2025
<i>In silico</i> analysis of the Chikungunya virus and SARS-CoV-2 Macrodomain
Vikas Tiwari, Moira Rachman, Kenneth Huang, et al.
Chemmedchem
|
February 21, 2019
DUckCov: a Dynamic Undocking-Based Virtual Screening Protocol for Covalent Binders
Moira Rachman, Andrea Scarpino, Dávid Bajusz, et al.
RSC Medicinal Chemistry
|
January 22, 2021
Discovery of a novel kinase hinge binder fragment by dynamic undocking
Moira Rachman, Dávid Bajusz, Anasztázia Hetényi, et al.
Journal of Medicinal Chemistry
|
December 13, 2021
Discovery of Novel BRD4 Ligand Scaffolds by Automated Navigation of the Fragment Chemical Space
Serena G Piticchio, Míriam Martínez-Cartró, Salvatore Scaffidi, et al.
Biorxiv : the Preprint Server for Biology
|
September 10, 2024
Extensive exploration of structure activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment merging and active learning
Galen J Correy, Moira Rachman, Takaya Togo, et al.
Biorxiv : the Preprint Server for Biology
|
July 7, 2022
Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 Macrodomain of SARS-CoV-2
Stefan Gahbauer, Galen J Correy, Marion Schuller, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
January 4, 2023
Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2
Stefan Gahbauer, Galen J Correy, Marion Schuller, et al.
Biorxiv : the Preprint Server for Biology
|
May 25, 2026
Toward a Random Background for Ligand Optimization
Xinyu Xu, Olivier Mailhot, Galen J Correy, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
Drug Discovery Today. Technologies
|
December 17, 2021
Fragment-to-lead tailored in silico design
Moira Rachman, Serena Piticchio, Maciej Majewski, et al.
Biorxiv : the Preprint Server for Biology
|
November 24, 2025
<i>In silico</i> analysis of the Chikungunya virus and SARS-CoV-2 Macrodomain
Vikas Tiwari, Moira Rachman, Kenneth Huang, et al.
Chemmedchem
|
February 21, 2019
DUckCov: a Dynamic Undocking-Based Virtual Screening Protocol for Covalent Binders
Moira Rachman, Andrea Scarpino, Dávid Bajusz, et al.
RSC Medicinal Chemistry
|
January 22, 2021
Discovery of a novel kinase hinge binder fragment by dynamic undocking
Moira Rachman, Dávid Bajusz, Anasztázia Hetényi, et al.
Journal of Medicinal Chemistry
|
December 13, 2021
Discovery of Novel BRD4 Ligand Scaffolds by Automated Navigation of the Fragment Chemical Space
Serena G Piticchio, Míriam Martínez-Cartró, Salvatore Scaffidi, et al.
Biorxiv : the Preprint Server for Biology
|
September 10, 2024
Extensive exploration of structure activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment merging and active learning
Galen J Correy, Moira Rachman, Takaya Togo, et al.
Biorxiv : the Preprint Server for Biology
|
July 7, 2022
Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 Macrodomain of SARS-CoV-2
Stefan Gahbauer, Galen J Correy, Marion Schuller, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
January 4, 2023
Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2
Stefan Gahbauer, Galen J Correy, Marion Schuller, et al.
Biorxiv : the Preprint Server for Biology
|
May 25, 2026
Toward a Random Background for Ligand Optimization
Xinyu Xu, Olivier Mailhot, Galen J Correy, et al.
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of 1