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Adrian Roitberg

Showing results (11-20 of 22) with videos related to

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Nature Computational Science|January 21, 2026
PropMolFlow: property-guided molecule generation with geometry-complete flow matchingCheng Zeng, Jirui Jin, Connor Ambrose, et al.
Chemmedchem|February 16, 2020
Axially Chiral Cannabinols: A New Platform for Cannabinoid-Inspired Drug DiscoveryPrimali V Navaratne, Jenny L Wilkerson, Kavindri D Ranasinghe, et al.
Journal of Chemical Information and Modeling|September 11, 2018
GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New FeaturesTai-Sung Lee, David S Cerutti, Dan Mermelstein, et al.
Biochemistry|December 17, 2014
Defective hydrophobic sliding mechanism and active site expansion in HIV-1 protease drug resistant variant Gly48Thr/Leu89Met: mechanisms for the loss of saquinavir binding potencyNathan E Goldfarb, Meray Ohanessian, Shyamasri Biswas, et al.
Chembiochem : a European Journal of Chemical Biology|November 19, 2016
Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform SpecificityAvni Bhatt, Brian P Mahon, Vinicius Wilian D Cruzeiro, et al.
Journal of the American Chemical Society|June 14, 2023
Axially Chiral Cannabinoids: Design, Synthesis, and Cannabinoid Receptor AffinitySara E Kearney, Anghelo J Gangano, Daniel G Barrus, et al.
Chemical Society Reviews|May 23, 2020
Correction: QSAR without bordersEugene N Muratov, Jürgen Bajorath, Robert P Sheridan, et al.
Chemical Society Reviews|May 2, 2020
QSAR without bordersEugene N Muratov, Jürgen Bajorath, Robert P Sheridan, et al.
JCI Insight|April 25, 2023
First-in-class multifunctional TYMS nonclassical antifolate inhibitor with potent in vivo activity that prolongs survivalMaria V Guijarro, Patrick C Kellish, Peter E Dib, et al.
Journal of Chemical Information and Modeling|July 29, 2025
Recent Developments in Amber Biomolecular SimulationsDavid A Case, David S Cerutti, Vinícius Wilian D Cruzeiro, et al.
Pageof 3

Showing results (11-20 of 22) with videos related to

Sort By:
Pageof 3
Nature Computational Science|January 21, 2026
PropMolFlow: property-guided molecule generation with geometry-complete flow matchingCheng Zeng, Jirui Jin, Connor Ambrose, et al.
Chemmedchem|February 16, 2020
Axially Chiral Cannabinols: A New Platform for Cannabinoid-Inspired Drug DiscoveryPrimali V Navaratne, Jenny L Wilkerson, Kavindri D Ranasinghe, et al.
Journal of Chemical Information and Modeling|September 11, 2018
GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New FeaturesTai-Sung Lee, David S Cerutti, Dan Mermelstein, et al.
Biochemistry|December 17, 2014
Defective hydrophobic sliding mechanism and active site expansion in HIV-1 protease drug resistant variant Gly48Thr/Leu89Met: mechanisms for the loss of saquinavir binding potencyNathan E Goldfarb, Meray Ohanessian, Shyamasri Biswas, et al.
Chembiochem : a European Journal of Chemical Biology|November 19, 2016
Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform SpecificityAvni Bhatt, Brian P Mahon, Vinicius Wilian D Cruzeiro, et al.
Journal of the American Chemical Society|June 14, 2023
Axially Chiral Cannabinoids: Design, Synthesis, and Cannabinoid Receptor AffinitySara E Kearney, Anghelo J Gangano, Daniel G Barrus, et al.
Chemical Society Reviews|May 23, 2020
Correction: QSAR without bordersEugene N Muratov, Jürgen Bajorath, Robert P Sheridan, et al.
Chemical Society Reviews|May 2, 2020
QSAR without bordersEugene N Muratov, Jürgen Bajorath, Robert P Sheridan, et al.
JCI Insight|April 25, 2023
First-in-class multifunctional TYMS nonclassical antifolate inhibitor with potent in vivo activity that prolongs survivalMaria V Guijarro, Patrick C Kellish, Peter E Dib, et al.
Journal of Chemical Information and Modeling|July 29, 2025
Recent Developments in Amber Biomolecular SimulationsDavid A Case, David S Cerutti, Vinícius Wilian D Cruzeiro, et al.
Pageof 3