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The Journal of Physical Chemistry. B|July 14, 2025
Effects of Conformational Sampling on Computing Redox Properties Using Linear Response ApproachSuman Maity, Ronit Sarangi, Atanu AcharyaJournal of Chemical Theory and Computation|July 24, 2024
Machine Learning Approach to Vertical Energy Gap in Redox ProcessesRonit Sarangi, Suman Maity, Atanu AcharyaACS Applied Bio Materials|March 22, 2023
Many Roles of Carbohydrates: A Computational Spotlight on the Coronavirus S Protein BindingSuman Maity, Atanu AcharyaBiorxiv : the Preprint Server for Biology|March 23, 2026
Identification of Key Residues in Allosteric Signaling of Photoactivated Adenylyl CyclaseSuman Maity, Atanu AcharyaJournal of Chemical Information and Modeling|April 25, 2025
Impact of Native Environment in Multiheme-Cytochrome Chains of the MtrCAB ComplexSasthi C Mandal, Ronit Sarangi, Atanu AcharyaAngewandte Chemie (International Ed. in English)|September 13, 2023
A General Strategy Toward pH-Resistant Phenolic Fluorophores for High-Fidelity Sensing and Bioimaging ApplicationsSourav Sarkar, Anushree Shil, Suman Maity, et al.Angewandte Chemie (International Ed. in English)|January 19, 2026
A Noncovalent Click-to-Release Strategy to Control Bond Cleavage and Prodrug ActivationXuancheng Fu, Bowen Xu, Suman Maity, et al.Bioconjugate Chemistry|March 3, 2025
Scalable One-Pot Production of Geranylgeranylated Proteins in Engineered ProkaryotesMd Shahadat Hossain, Md Mahbubul Alam, Zhiwei Huang, et al.Journal of Computational Chemistry|December 29, 2023
Two- and one-photon absorption spectra of aqueous thiocyanate anion highlight the role of symmetry in the condensed phaseRonit Sarangi, Kaushik D Nanda, Anna I KrylovJournal of Chemical Theory and Computation|January 4, 2018
Can TDDFT Describe Excited Electronic States of Naphthol Photoacids? A Closer Look with EOM-CCSDAtanu Acharya, Subhajyoti Chaudhuri, Victor S BatistaPageof 7