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Physical Chemistry Chemical Physics : PCCP|October 16, 2020
Can modified DNA base pairs with chalcogen bonding expand the genetic alphabet? A combined quantum chemical and molecular dynamics simulation studyKaran Deep Sharma, Preetleen Kathuria, Stacey D Wetmore, et al.Chemical Research in Toxicology|July 19, 2017
Molecular Modeling of the Major DNA Adduct Formed from Food Mutagen Ochratoxin A in NarI Two-Base Deletion Duplexes: Impact of Sequence Context and Adduct Ionization on Conformational Preference and MutagenicityPreetleen Kathuria, Purshotam Sharma, Richard A Manderville, et al.Chemical Research in Toxicology|June 21, 2018
Molecular Dynamics Simulations of Mismatched DNA Duplexes Associated with the Major C8-Linked 2'-Deoxyguanosine Adduct of the Food Mutagen Ochratoxin A: Influence of Opposing Base, Adduct Ionization State, and Sequence on the Structure of Damaged DNAPreetleen Kathuria, Purshotam Sharma, Richard A Manderville, et al.Journal of Chemical Information and Modeling|October 5, 2021
Molecular Dynamics Simulations of the Aptamer Domain of Guanidinium Ion Binding Riboswitch ykkC-III: Structural Insights into the Discrimination of Cognate and Alternate LigandsIndu Negi, Amanpreet Singh Mahmi, Preethi Seelam Prabhakar, et al.Scientific Reports|September 26, 2025
Antimicrobial, synergistic and antibiofilm activities of Myristica fragrans Houtt. Bioactive compounds and their derivativesVishaldeep Kaur, Sonia Kaushal, Anu Kalia, et al.Journal of Biomolecular Structure & Dynamics|April 11, 2008
Quantum chemical studies of structures and binding in noncanonical RNA base pairs: the trans Watson-Crick:Watson-Crick familyPurshotam Sharma, Abhijit Mitra, Sitansh Sharma, et al.Journal of Molecular Modeling|December 6, 2008
Design of laser pulses for selective vibrational excitation of the N6-H bond of adenine and adenine-thymine base pair using optimal control theorySitansh Sharma, Purshotam Sharma, Harjinder Singh, et al.ACS Omega|March 3, 2020
Structural Patterns and Stabilities of Hydrogen-Bonded Pairs Involving Ribonucleotide Bases and Arginine, Glutamic Acid, or Glutamine Residues of Proteins from Quantum Mechanical CalculationsDeepika Kagra, Preethi Seelam Prabhakar, Karan Deep Sharma, et al.Biochemistry|March 12, 2015
Conformational preferences of DNA following damage by aristolochic acids: Structural and energetic insights into the different mutagenic potential of the ALI and ALII-N(6)-dA adductsPreetleen Kathuria, Purshotam Sharma, Minette N Abendong, et al.Frontiers in Chemistry|May 3, 2024
Isolation of quinic acid from dropped Citrus reticulata Blanco fruits: its derivatization, antibacterial potential, docking studies, and ADMET profilingHeena, Sonia Kaushal, Vishaldeep Kaur, et al.Pageof 7