Prakash Jha
0000-0002-1709-511X
Indian Institute of Science
6 papers found
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Sensing of Ce(iii) using di-naphthoylated oxacalix[4]arene via realistic simulations and experimental studies
Designing of calixarene based drug carrier for dasatinib, lapatinib and nilotinib using multilevel molecular docking and dynamics simulations
In Silico Exploration of Vinca Domain Tubulin Inhibitors: A Combination of 3D-QSAR-Based Pharmacophore Modeling, Docking and Molecular Dynamics Simulations
Intramolecular Charge Transfer: Mechanism Behind Cyanide Anion Sensing of 3,5-Diformyl-borondipyrromethene
A theoretical study on anion sensing mechanism of multi-phosphonium triarylboranes: intramolecular charge transfer and configurational changes
A comparative study of hydrogen evolution reaction on pseudo-monolayer WS2and PtS2: insights based on the density functional theory
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