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Utsab Bhattacharyya - Publications

Affiliations: 
 
Area:
Computational Chemistry, Synthetic Organic Chemistry
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6 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Pooventhiran T, Marondedze EF, Govender PP, Bhattacharyya U, Rao DJ, Aazam ES, Kuthanapillil JM, E TJ, Thomas R. Energy and reactivity profile and proton affinity analysis of rimegepant with special reference to its potential activity against SARS-CoV-2 virus proteins using molecular dynamics. Journal of Molecular Modeling. 27: 276. PMID 34480634 DOI: 10.1007/s00894-021-04885-z  0.525
2021 Al-Zaqri N, Pooventhiran T, Alharthi FA, Bhattacharyya U, Thomas R. Structural investigations, quantum mechanical studies on proton and metal affinity and biological activity predictions of selpercatinib. Journal of Molecular Liquids. 325: 114765. PMID 33746318 DOI: 10.1016/j.molliq.2020.114765  0.556
2021 Bhattacharyya U, Pooventhiran T, Thomas R. Adsorption of the drug bempedoic acid over different 2D/3D nanosurfaces and enhancement of Raman activity enabling ultrasensitive detection: First principle analysis. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 254: 119630. PMID 33684853 DOI: 10.1016/j.saa.2021.119630  0.494
2021 Surendar P, Pooventhiran T, Rajam S, Bhattacharyya U, Bakht MA, Thomas R. Quasi liquid Schiff bases from trans-2-hexenal and cytosine and l-leucine with potential antieczematic and antiarthritic activities: Synthesis, structure and quantum mechanical studies Journal of Molecular Liquids. 334: 116448. DOI: 10.1016/J.MOLLIQ.2021.116448  0.513
2021 Pooventhiran T, Al-Zaqri N, Alsalme A, Bhattacharyya U, Thomas R. Structural aspects, conformational preference and other physico-chemical properties of Artesunate and the formation of self-assembly with graphene quantum dots: A first principle analysis and surface enhancement of Raman activity investigation Journal of Molecular Liquids. 325: 114810. DOI: 10.1016/j.molliq.2020.114810  0.524
2021 Bhattacharyya U, Thomas R, Puchta R. The proton sponge 1,8-bis(dimethylamino)naphthalene: The quicker-picker-upper also for s-block metal cations? Chemical Physics Letters. 777: 138735. DOI: 10.1016/J.CPLETT.2021.138735  0.486
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