Publications - 48Publications - 48
Publications - 48Publications (48)
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ArticlesTuning Potency of Bioactive Molecules via Polymorphic Modifications: A Case Study2022 | American Chemical Society- ArticlesDeciphering the immunogenic T-cell epitopes from spike protein of SARS-CoV-2 concerning the diverse population of India2022 | Taylor & Francis
- ArticlesRegulation of Tyrosinase Enzyme Activity by Glutathione Peroxidase Mimics2022 | American Chemical Society
- ArticlesCombined MD and QM/MM Calculations Reveal Allostery-Driven Promiscuity in Dipeptide Epimerases of Enolase Family2022 | John Wiley and Sons Ltd
- ArticlesThe Performance of Different Water Models on the Structure and Function of Cytochrome P450 Enzymes2022 | American Chemical Society
- ArticlesSingle-Site Mutation Induces Water-Mediated Promiscuity in Lignin Breaking Cytochrome P450GcoA2022 | American Chemical Society
- Articles
Open AccessEditorial: Molecular Dynamics Simulations of Metalloproteins and Metalloenzymes
2021 | Frontiers - ArticlesOpen Access
Tetrahydrocurcumin Has Similar Anti-Amyloid Properties as Curcumin: In Vitro Comparative Structure-Activity Studies
2021 | MDPI 
ArticlesDoes Antibody Stabilize the Ligand Binding in GP120 of HIV-1 Envelope Protein? Evidence from MD Simulation2021 | NLM (Medline)Open Access
ArticlesCan the local electric field be a descriptor of catalytic activity? A case study on chorismate mutase2021 | The Royal Society of Chemistry- ArticlesSimulations Reveal Key Role of Arg15 for Promiscuous Activity in HisA Enzyme2021 | The Royal Society of Chemistry
- Book PartCHAPTER 2 The Impact of Electric Fields on Chemical Structure and Reactivity2021 | The Royal Society of Chemistry
ArticlesO-/ N-/ S-Specificity in Glycosyltransferase Catalysis: From Mechanistic Understanding to Engineering2021 | American Chemical Society
