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Molecular Pharmaceutics|June 18, 2025
AIoptamer: Artificial Intelligence-Driven Aptamer Optimization Pipeline for Targeted Therapeutics in HealthcareTushar Gupta, Priyanka Sharma, Sheeba Malik, et al.
Biophysical Chemistry|March 12, 2026
Design and characterization of modified RNA G-quadruplex for Tl+ ion leaching: Insights from computer simulationsPradeep Pant, Tushar Gupta
Frontiers in Genetics|April 1, 2026
BioMutation: a portable graphical user interface for mutagenesis and feature analysis in proteins, nucleic acids, and their complexesTushar Gupta, Pradeep Pant
Journal of Peptide Science : an Official Publication of the European Peptide Society|May 21, 2025
Identification of Potent Cell Penetrating, Nontoxic Peptides for Inhibiting MDM2-p53 Interactions: Characterization of Anticancer Peptides via Molecular Dynamics SimulationsPradeep Pant, Aman Sehgal, Tushar Gupta, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|July 1, 2026
RNALig: An ML-Driven Structure-Based Scoring Function for Estimating Binding Affinities of RNA-Ligand ComplexesPriyanka Sharma, N Latha, Leena Aggarwal, et al.
The Journal of Physical Chemistry. B|November 22, 2022
Harmonizing Interstrand Electrostatic Repulsion by Conformational Rigidity in Counterion-Deprived Z-DNA: A Molecular Dynamics StudyPradeep Pant
Chemistry & Biodiversity|July 9, 2024
Design and Characterization of Neutral Linker-Based Bis-Intercalator via Computer Simulations: Balancing DNA Binding and Cellular UptakePradeep Pant
Biophysical Chemistry|June 8, 2024
Flexible RNA aptamers as inhibitors of Bacillus anthracis ribosomal protein S8: Insights from molecular dynamics simulationsPradeep Pant
ACS Omega|September 30, 2024
CHIMERA_NA: A Customizable Mutagenesis Tool for Structural Manipulations in Nucleic Acids and Their ComplexesPradeep Pant
The Journal of Chemical Physics|July 9, 2021
Dehydration induced dynamical heterogeneity and ordering mechanism of lipid bilayersSheeba Malik, Ananya Debnath
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