Purshotam Sharma

发表

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 DNA.

R. Manderville, Preetleen Kathuria, Purshotam Sharma, 2018, Chemical research in toxicology.

Structural landscape of base pairs containing post-transcriptional modifications in RNA

Purshotam Sharma, A. Mitra, Preethi S. P., 2017, bioRxiv.

Influence of the linkage type and functional groups in the carcinogenic moiety on the conformational preferences of damaged DNA: structural and energetic characterization of carbon- and oxygen-linked C(8)-phenolic-guanine adducts.

R. Manderville, Purshotam Sharma, S. Wetmore, 2015, Chemical research in toxicology.

A comprehensive survey on the nature of ring:ring nucleobase stacking interactions in RNA: occurrence, structural variability and classification of the associated contacts

Purshotam Sharma, Antarip Halder, Ayush Jhunjhunwala, 2020, bioRxiv.

Exploring the limits of nucleobase expansion: computational design of naphthohomologated (xx-) purines and comparison to the natural and xDNA purines.

Purshotam Sharma, S. Wetmore, L. A. Lait, 2013, Physical chemistry chemical physics : PCCP.

yDNA versus yyDNA pyrimidines: computational analysis of the effects of unidirectional ring expansion on the preferred sugar-base orientation, hydrogen-bonding interactions and stacking abilities.

Purshotam Sharma, S. Wetmore, L. A. Lait, 2013, Physical chemistry chemical physics : PCCP.

Could Purines Be Formed from Cyanamide and Cyanoacetylene in a Prebiotic Earth Environment?

Sarabjeet Kaur, Purshotam Sharma, Ashita Ohri, 2019, ACS omega.

C8-heteroaryl-2'-deoxyguanosine adducts as conformational fluorescent probes in the NarI recognition sequence.

R. Manderville, Purshotam Sharma, S. Wetmore, 2012, The Journal of organic chemistry.

Chemical composition and molecular docking studies of Cyamopsis tetragonoloba (L.) Taub. leaves and fruits extracts as antifungal agents against rice phytopathogenic fungi

Sumeet Singh, Purshotam Sharma, M. Hunjan, 2022, Archives of Phytopathology and Plant Protection.

Photophysical properties of push–pull 8-aryl-deoxyguanosine probes within duplex and G-quadruplex structures

R. Manderville, Purshotam Sharma, S. Wetmore, 2016 .

Adenine versus guanine DNA adducts of aristolochic acids: role of the carcinogen–purine linkage in the differential global genomic repair propensity

Preetleen Kathuria, Purshotam Sharma, S. Wetmore, 2015, Nucleic acids research.

Effect of base sequence context on the conformational heterogeneity of aristolactam-I adducted DNA: structural and energetic insights into sequence-dependent repair and mutagenicity.

Preetleen Kathuria, Purshotam Sharma, S. Wetmore, 2016, Toxicology research.

Radical pathways for the formation of non-canonical nucleobases in prebiotic environments

Sarabjeet Kaur, Purshotam Sharma, 2019, RSC advances.

Occurrence and classification of T-shaped interactions between nucleobases in RNA structures

John F. Trant, Purshotam Sharma, Ayush Jhunjhunwala, 2022, bioRxiv.

Structural and biochemical impact of C8-aryl-guanine adducts within the NarI recognition DNA sequence: influence of aryl ring size on targeted and semi-targeted mutagenicity

R. Manderville, S. Sturla, Purshotam Sharma, 2014, Nucleic acids research.

Structural influence of C8-phenoxy-guanine in the NarI recognition DNA sequence.

R. Manderville, Purshotam Sharma, S. Wetmore, 2013, Chemical research in toxicology.

Cyanoacetaldehyde as a building block for prebiotic formation of pyrimidines

Sarabjeet Kaur, Purshotam Sharma, 2019, International Journal of Quantum Chemistry.

Guanidinium-amino acid hydrogen-bonding interactions in protein crystal structures: implications for guanidinium-induced protein denaturation.

John F. Trant, Purshotam Sharma, R. Jangra, 2022, Physical chemistry chemical physics : PCCP.

4‐Hydroxy Enigmol, a 1‐Deoxyphytosphingolipid that Exhibit Good Activity against Prostate and Colon Cancer

Purshotam Sharma, Vasundhara Singh, N. Agnihotri, 2023, ChemistrySelect.

Solubility and Stability Enhancement of Poorly-Soluble Drugs Clarithromycin and Prednisolone by Combination with Other Drugs

Purshotam Sharma, N. Seedher, 2007 .

How do hydrophobic nucleobases differ from natural DNA nucleobases? Comparison of structural features and duplex properties from QM calculations and MD simulations.

Purshotam Sharma, Stacey D Wetmore, Indu Negi, 2017, Physical chemistry chemical physics : PCCP.

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 adducts.

Preetleen Kathuria, Purshotam Sharma, S. Wetmore, 2015, Biochemistry.

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 Mutagenicity.

R. Manderville, Preetleen Kathuria, Purshotam Sharma, 2017, Chemical research in toxicology.

Structural and energetic characterization of the major DNA adduct formed from the food mutagen ochratoxin A in the NarI hotspot sequence: influence of adduct ionization on the conformational preferences and implications for the NER propensity

R. Manderville, Purshotam Sharma, S. Wetmore, 2014, Nucleic acids research.

Modeling the conformational preference of the carbon-bonded covalent adduct formed upon exposure of 2'-deoxyguanosine to ochratoxin A.

R. Manderville, Purshotam Sharma, S. Wetmore, 2013, Chemical research in toxicology.

A Theoretical Study on Interaction of Small Gold Clusters Aun (n = 4, 6, 8) with xDNA Base Pairs

Harjinder Singh, Purshotam Sharma, A. Mitra, 2009, Journal of biomolecular structure & dynamics.

Purshotam Sharma, Harkishan Singh, R. B. Mathur, 1972 .

C8-linked bulky guanosine DNA adducts: experimental and computational insights into adduct conformational preferences and resulting mutagenicity.

Purshotam Sharma, S. Wetmore, Andrea L. Millen, 2012, Future medicinal chemistry.

Enhancing Bulge Stabilization through Linear Extension of C8-Aryl-Guanine Adducts to Promote Polymerase Blockage or Strand Realignment to Produce a C:C Mismatch.

R. Manderville, Purshotam Sharma, S. Wetmore, 2015, Chemical research in toxicology.

Can modified DNA base pairs with chalcogen bonding expand the genetic alphabet? A combined quantum chemical and molecular dynamics simulation study.

Preetleen Kathuria, Purshotam Sharma, S. Wetmore, 2020, Physical chemistry chemical physics : PCCP.

Chlorine substitution promotes phenyl radical loss from C8-phenoxy-2'-deoxyguanosine adducts: implications for biomarker identification from chlorophenol exposure.

R. Manderville, Purshotam Sharma, S. Wetmore, 2015, Journal of mass spectrometry : JMS.

Structural and electronic properties of barbituric acid and melamine-containing ribonucleosides as plausible components of prebiotic RNA: implications for prebiotic self-assembly.

Sarabjeet Kaur, Purshotam Sharma, S. Wetmore, 2017, Physical chemistry chemical physics : PCCP.

RNABP COGEST: a resource for investigating functional RNAs

Dhananjay Bhattacharyya, Sukanya Halder, Abhijit Mitra, 2015, Database J. Biol. Databases Curation.

Optimization of fluorescent 8-heteroaryl-guanine probes for monitoring protein-mediated duplex → G-quadruplex exchange.

R. Manderville, Purshotam Sharma, S. Wetmore, 2016, Organic & biomolecular chemistry.

Binding of Gold Nanoclusters with Size-Expanded DNA Bases: A Computational Study of Structural and Electronic Properties.

Purshotam Sharma, Sitansh Sharma, Harjinder Singh, 2007, Journal of chemical theory and computation.

Novel Vanillin‐based hybrids inhibit quorum sensing and silences phenotypical expressions in Pseudomonas aeruginosa

Purshotam Sharma, K. Harjai, Vasundhara Singh, 2022, Drug development research.

Structural landscape of base pairs containing post-transcriptional modifications in RNA.

Abhijit Mitra, Purshotam Sharma, Purshotam Sharma, 2017, RNA.

Molecular Dynamics Study of One-Base Deletion Duplexes Containing the Major DNA Adduct Formed by Ochratoxin A: Effects of Sequence Context and Adduct Ionization State on Lesion Site Structure and Mutagenicity.

R. Manderville, Preetleen Kathuria, Purshotam Sharma, 2019, The journal of physical chemistry. B.

Chlorine functionalization of a model phenolic C8-guanine adduct increases conformational rigidity and blocks extension by a Y-family DNA polymerase.

R. Manderville, Purshotam Sharma, S. Wetmore, 2015, Chemical research in toxicology.

Modeling the noncovalent interactions at the metabolite binding site in purine riboswitches

Purshotam Sharma, A. Mitra, Sitansh Sharma, 2009, Journal of molecular modeling.

Effect of Size and Shape of Nitrogen-Containing Aromatics on Conformational Preferences of DNA Containing Damaged Guanine

Ryan W Kung, Purshotam Sharma, Stacey D Wetmore, 2018, J. Chem. Inf. Model..

Protonation of base pairs in RNA: context analysis and quantum chemical investigations of their geometries and stabilities.

D. Bhattacharyya, Sukanya Halder, Purshotam Sharma, 2011, The journal of physical chemistry. B.

Replication of the Aristolochic Acid I Adenine Adduct (ALI-N6-A) by a Model Translesion Synthesis DNA Polymerase: Structural Insights on the Induction of Transversion Mutations from Molecular Dynamics Simulations.

Preetleen Kathuria, Purshotam Sharma, S. Wetmore, 2020, Chemical research in toxicology.

Quantum Chemical Studies of Structures and Binding in Noncanonical RNA Base pairs: The Trans Watson-Crick:Watson-Crick Family

Harjinder Singh, D. Bhattacharyya, Purshotam Sharma, 2008, Journal of biomolecular structure & dynamics.

Molecular Dynamics Simulations of the Aptamer Domain of Guanidinium Ion Binding Riboswitch ykkC-III: Structural Insights into the Discrimination of Cognate and Alternate Ligands

Purshotam Sharma, Indu Negi, Amanpreet Singh Mahmi, 2021, J. Chem. Inf. Model..

Pairing interactions between nucleobases and ligands in aptamer:ligand complexes of riboswitches: crystal structure analysis, classification, optimal structures, and accurate interaction energies

Purshotam Sharma, A. Mitra, Preethi P Seelam, 2019, bioRxiv.

Higher order structures involving post transcriptionally modified nucleobases in RNA

Abhijit Mitra, Purshotam Sharma, Purshotam Sharma, 2017 .

On the role of Hoogsteen:Hoogsteen interactions in RNA: ab initio investigations of structures and energies.

Purshotam Sharma, A. Mitra, Sitansh Sharma, 2010, RNA.

Quantum control of vibrational excitations in a heteronuclear diatomic molecule

Harjinder Singh, Purshotam Sharma, Sitansh Sharma, 2007 .

A quantum chemical view of the interaction of RNA nucleobases and base pairs with the side chains of polar amino acids

Purshotam Sharma, Ashita Ohri, Preethi P Seelam, 2020, Journal of biomolecular structure & dynamics.

Structural Patterns and Stabilities of Hydrogen-Bonded Pairs Involving Ribonucleotide Bases and Arginine, Glutamic Acid, or Glutamine Residues of Proteins from Quantum Mechanical Calculations

Purshotam Sharma, P. S. Prabhakar, K. Sharma, 2020, ACS omega.

Interaction of aspartic acid and asparagine with RNA nucleobases: a quantum chemical view

Purshotam Sharma, S. Preethi, Deepika Kagra, 2020, Journal of biomolecular structure & dynamics.

Role of Stacking Interactions in the Stability of Primitive Genetics: A Quantum Chemical View

Purshotam Sharma, Sarabjeet Kaur, Payal Grover, 2021, J. Chem. Inf. Model..

Structural and Energetic Features of Base-Base Stacking Contacts in RNA

John F. Trant, Purshotam Sharma, Ayush Jhunjhunwala, 2023, J. Chem. Inf. Model..

On the Nature of Nucleobase Stacking in RNA: A Comprehensive Survey of Its Structural Variability and a Systematic Classification of Associated Interactions

Abhijit Mitra, Purshotam Sharma, Sohini Bhattacharya, 2021, J. Chem. Inf. Model..

Can Cyanuric Acid and 2,4,6-Triaminopyrimidine Containing Ribonucleosides be Components of Prebiotic RNA? Insights from QM Calculations and MD Simulations.

Sarabjeet Kaur, Purshotam Sharma, S. Wetmore, 2019, Chemphyschem : a European journal of chemical physics and physical chemistry.

Electronic tuning of fluorescent 8-aryl-guanine probes for monitoring DNA duplex–quadruplex exchange

R. Manderville, Purshotam Sharma, S. Wetmore, 2014 .

Preferential mode of cyclization of tetrahydrofuran amino acids containing peptides: some theoretical insights

Harjinder Singh, D. Koley, Purshotam Sharma, 2009 .

Structural Mapping of the Base Stacks Containing Post-transcriptionally Modified Bases in RNA.

John F. Trant, Sarabjeet Kaur, Purshotam Sharma, 2023, The journal of physical chemistry. B.

Base pairing in RNA structures: A computational analysis of structural aspects and interaction energies

Harjinder Singh, Purshotam Sharma, A. Mitra, 2007 .

3D Porous MoS2-Decorated Reduced Graphene Oxide Aerogel as a Heterogeneous Catalyst for Reductive Transformation Reactions.

K. M. Tripathi, S. Sonkar, Purshotam Sharma, 2023, Langmuir : the ACS journal of surfaces and colloids.

Trans Hoogsteen/sugar edge base pairing in RNA. Structures, energies, and stabilities from quantum chemical calculations.

J. Šponer, J. Šponer, D. Bhattacharyya, 2009, The journal of physical chemistry. B.