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Organic & Biomolecular Chemistry
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November 20, 2024
Syntheses of differentially fluorinated triazole-based 1-deoxysphingosine analogues <i>en route</i> to SphK inhibitors
Adrià Cardona, Varbina Ivanova, Raúl Beltrán-Debón, 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.
Molecules (Basel, Switzerland)
|
December 15, 2018
Solvents to Fragments to Drugs: MD Applications in Drug Design
Lucas A Defelipe, Juan Pablo Arcon, Carlos P Modenutti, et al.
Database : the Journal of Biological Databases and Curation
|
May 13, 2014
TuberQ: a Mycobacterium tuberculosis protein druggability database
Leandro Radusky, Lucas A Defelipe, Esteban Lanzarotti, et al.
Bioorganic Chemistry
|
February 29, 2024
Targeting dihydroceramide desaturase 1 (Des1): Syntheses of ceramide analogues with a rigid scaffold, inhibitory assays, and AlphaFold2-assisted structural insights reveal cyclopropenone PR280 as a potent inhibitor
Pablo Rivero, Varbina Ivanova, Xavier Barril, 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 Computer-Aided Molecular Design
|
July 17, 2017
Binding mode prediction and MD/MMPBSA-based free energy ranking for agonists of REV-ERBα/NCoR
Yvonne Westermaier, Sergio Ruiz-Carmona, Isabelle Theret, et al.
Journal of Chemical Information and Modeling
|
August 3, 2019
Cosolvent-Based Protein Pharmacophore for Ligand Enrichment in Virtual Screening
Juan Pablo Arcon, Lucas A Defelipe, Elias D Lopez, et al.
Journal of the American Chemical Society
|
May 8, 2023
Multi-Responsive Eight-State Bis(acridinium-Zn(II) porphyrin) Receptor
Amy Edo-Osagie, Dylan Serillon, Federica Ruani, et al.
Nature Chemistry
|
February 22, 2017
Dynamic undocking and the quasi-bound state as tools for drug discovery
Sergio Ruiz-Carmona, Peter Schmidtke, F Javier Luque, et al.
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Search research articles
Search
Showing results (41-50 of 82) with videos related to
Sort By:
Page
of 9
Organic & Biomolecular Chemistry
|
November 20, 2024
Syntheses of differentially fluorinated triazole-based 1-deoxysphingosine analogues <i>en route</i> to SphK inhibitors
Adrià Cardona, Varbina Ivanova, Raúl Beltrán-Debón, 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.
Molecules (Basel, Switzerland)
|
December 15, 2018
Solvents to Fragments to Drugs: MD Applications in Drug Design
Lucas A Defelipe, Juan Pablo Arcon, Carlos P Modenutti, et al.
Database : the Journal of Biological Databases and Curation
|
May 13, 2014
TuberQ: a Mycobacterium tuberculosis protein druggability database
Leandro Radusky, Lucas A Defelipe, Esteban Lanzarotti, et al.
Bioorganic Chemistry
|
February 29, 2024
Targeting dihydroceramide desaturase 1 (Des1): Syntheses of ceramide analogues with a rigid scaffold, inhibitory assays, and AlphaFold2-assisted structural insights reveal cyclopropenone PR280 as a potent inhibitor
Pablo Rivero, Varbina Ivanova, Xavier Barril, 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 Computer-Aided Molecular Design
|
July 17, 2017
Binding mode prediction and MD/MMPBSA-based free energy ranking for agonists of REV-ERBα/NCoR
Yvonne Westermaier, Sergio Ruiz-Carmona, Isabelle Theret, et al.
Journal of Chemical Information and Modeling
|
August 3, 2019
Cosolvent-Based Protein Pharmacophore for Ligand Enrichment in Virtual Screening
Juan Pablo Arcon, Lucas A Defelipe, Elias D Lopez, et al.
Journal of the American Chemical Society
|
May 8, 2023
Multi-Responsive Eight-State Bis(acridinium-Zn(II) porphyrin) Receptor
Amy Edo-Osagie, Dylan Serillon, Federica Ruani, et al.
Nature Chemistry
|
February 22, 2017
Dynamic undocking and the quasi-bound state as tools for drug discovery
Sergio Ruiz-Carmona, Peter Schmidtke, F Javier Luque, et al.
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of 9