Kalyanashis Jana

9PUBLICATIONS
13CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsNanometrologyGlycoconjugatesTheoretical quantum chemistryMedical bacteriology
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Publications (9)

|Dec 12, 2025
Unraveling the stereoisomeric toxicity of V-series nerve agent VX on human acetylcholinesterase: a well-tempered metadynamics study.

Dipankar Das, Shibaji Ghosh, Kalyanashis Jana

|Oct 02, 2025
Fabrication of cytotoxic mirror image nanopores.

Neilah Firzan Ca, Kalyanashis Jana, Sreelakshmi Radhakrishnan

|Jul 07, 2021
The mechanism of conversion of substituted glycals to chiral acenes via Diels-Alder reaction: a computational study.

Kalyanashis Jana, Padmaja D Wakchaure, Nazar Hussain

|Oct 22, 2019
Quantum chemical and well-tempered metadynamics study to design adenine analogs for orthogonal Preq1 riboswitch.

Kalyanashis Jana, Padmaja D Wakchaure, Shibaji Ghosh

|Sep 10, 2019
Structural insights into the interactions of flavin mononucleotide (FMN) and riboflavin with FMN riboswitch: a molecular dynamics simulation study.

Padmaja D Wakchaure, Kalyanashis Jana, Bishwajit Ganguly

|Jun 08, 2019
Revealing the mechanistic pathway of cholinergic inhibition of Alzheimer's disease by donepezil: a metadynamics simulation study.

Shibaji Ghosh, Kalyanashis Jana, Bishwajit Ganguly

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