Pathik S. Brahmkshatriya

Quantum Mechanical Scoring: Structural and Energetic Insights into Cyclin-Dependent Kinase 2 Inhibition by Pyrazolo[1,5-a]pyrimidines

Pathik S. Brahmkshatriya, Petr Dobeš, Jindřich Fanfrlík et al. · Current Computer - Aided Drug Design · 2013 · 65 citations

Quantum Mechanics-Based Scoring Rationalizes the Irreversible Inactivation of Parasitic<i>Schistosoma mansoni</i>Cysteine Peptidase by Vinyl Sulfone Inhibitors

Jindřich Fanfrlík, Pathik S. Brahmkshatriya, Jan Řezáč et al. · The Journal of Physical Chemistry B · 2013 · 47 citations

Design, Green Synthesis, and Anti-Inflammatory Activity of Schiff Base of 1,3,4-oxadiazole Analogues

Biswa Mohan Sahoo, Subas Chandra Dinda, Bvv Ravi Kumar et al. · Letters in Drug Design & Discovery · 2013 · 40 citations

Explicit treatment of active-site waters enhances quantum mechanical/implicit solvent scoring: Inhibition of CDK2 by new pyrazolo[1,5-a]pyrimidines

Michaela Hylsová, Benoît Carbain, Jindřich Fanfrlík et al. · European Journal of Medicinal Chemistry · 2016 · 36 citations · Full text

Deep Eutectic Solvent, Solvent Scoring, Chemical Analysis +5

Microwave-assisted synthesis, molecular docking and antitubercular activity of 1,2,3,4-tetrahydropyrimidine-5-carbonitrile derivatives

Sahoo Biswa Mohan, B. V. V. Ravi Kumar, Subas Chandra Dinda et al. · Bioorganic & Medicinal Chemistry Letters · 2012 · 31 citations

Combinatorial Chemistry, Medicine, Natural Sciences +8