Sunanda Samanta

10PUBLICATIONS
12CO-AUTHORS
Molecular targetsStructural biology (incl. macromolecular modelling)Neurology and neuromuscular diseasesMedical molecular engineering of nucleic acids and proteinsCheminformatics and quantitative structure-activity relationships
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Publications (10)

|Jun 24, 2026
Conformational landscapes and binding free energies of multitarget phytochemicals reveal molecular recognition mechanisms in colorectal cancer-associated proteins.

|Oct 21, 2024
Dynamic Interplay of Loop Motions Governs the Molecular Level Regulatory Dynamics in Spleen Tyrosine Kinase: Insights from Molecular Dynamics Simulations.

Sunanda Samanta, Md Fulbabu Sk, Suman Koirala

|Jun 10, 2024
Identification of inhibitors for neurodegenerative diseases targeting dual leucine zipper kinase through virtual screening and molecular dynamics simulations.

S Koirala, S Samanta, P Kar

|May 15, 2024
An immunoinformatic approach for developing a multi-epitope subunit vaccine against Monkeypox virus.

Ashmad Kumar Nayak, Aritra Chakraborty, Sakshi Shukla

|Feb 07, 2024
Deciphering the molecular choreography of Janus kinase 2 inhibition via Gaussian accelerated molecular dynamics simulations: a dynamic odyssey.

Md Fulbabu Sk, Sunanda Samanta, Sayan Poddar

|Nov 08, 2023
Computational insights into VacA toxin inhibition: harnessing FDA-approved antibiotics against Helicobacter pylori.

Dharmendra Kashyap, Suman Koirala, Rajarshi Roy

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Frequent Collaborators

9 joint publications

Parimal Kar

5 joint publications

Suman Koirala

4 joint publications

Md Fulbabu Sk

3 joint publications

Sayan Poddar