Saroj K. Panda
Brahmapur, OR 760010, India
Last Updated: 09/26/2026
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Found 37 publications
Accurate and Time-Efficient Condensed-Phase Free Energy Simulations with Reaction Specific Δ-Machine Learning Potentials in CHARMM.
Journal: Journal of chemical theory and computation
Published: April 23, 2026
Decoding Ceftazidime-Avibactam Resistance in Newly Identified Klebsiella pneumoniae Carbapenemase (KPC) 107 Variant by Modulating the Active Site Environment.
Journal: ACS infectious diseases
Published: December 19, 2025
Mechanistic insights into ESBL activity of subclass A2 in Class A beta-lactamase revealing a distinct strategy towards conferring drug resistance.
Journal: Journal of biomolecular structure & dynamics
Published: September 30, 2025
Modulating functional allostery of the host-cell receptor protein hACE2 to inhibit viral entry of SARS-CoV-2.
Journal: Physical chemistry chemical physics : PCCP
Published: August 06, 2025
Dual Inhibition of IDO1 and TDO: A Unified Therapeutic Strategy to Combat Alzheimer's Disease and Cancer.
Journal: ACS chemical neuroscience
Published: July 07, 2025
Aromatic-Selective Size Exclusion Chromatography (ASSEC) of Petroleum Using Traditional Normal Phase Columns: A Sustainable Solution for Petroleum Characterization.
Journal: Journal of separation science
Published: June 26, 2025
Spike Protein-Fibrinogen Interaction: A Novel Immune Evasion Strategy of SARS-CoV-2?
Journal: ACS pharmacology & translational science
Published: February 13, 2025
In silico evidence of monkeypox F14 as a ligand for the human TLR1/2 dimer.
Journal: Frontiers in immunology
Published: December 12, 2024
Computational Assessment of Clinical Drugs against SARS-CoV-2: Foreseeing Molecular Mechanisms and Potent Mpro Inhibitors.
Journal: Chemphyschem : a European journal of chemical physics and physical chemistry
Published: August 18, 2024
Assessing the impact of MSH3 and MSH6 polymorphisms on lung cancer risk in North Indian patients undergoing platinum chemotherapy through molecular dynamics simulation.
Journal: Scientific reports
Published: April 18, 2024
Can Duvelisib and Eganelisib work for both cancer and COVID-19? Molecular-level insights from MD simulations and enhanced samplings.
Journal: Physical chemistry chemical physics : PCCP
Published: March 25, 2024
Last Updated: 09/26/2026