Salt formation, hydrogen-bonding patterns and supramolecular architectures of acridine with salicylic and hippuric acid molecules
Suganya, Suresh, Saravanan, Kandasamy, Jaganathan, Ramakrishnan, Kumaradhas, Poomani
Published in Acta crystallographica. Section C, Crystal structure communications (01.12.2021)
Published in Acta crystallographica. Section C, Crystal structure communications (01.12.2021)
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Journal Article
Experimental and theoretical analyses and investigation of intermolecular interactions and antibacterial activity of a novel proton transfer compound:8-hydroxyquinolinium oxalate monohydrate
Mathew, Binimol Mary, Suma, S., Sudarsanakumar, M.R., Joe, I. Hubert, Anitha, L., Suresh, Suganya, Anusree, S.
Published in Heliyon (01.04.2023)
Published in Heliyon (01.04.2023)
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Journal Article
Probing the binding nature and stability of highly transmissible mutated variant alpha to omicron of SARS‐CoV‐2 RBD with ACE2 via molecular dynamics simulation
Ramakrishnan, Jaganathan, Chinnamadhu, Archana, Suresh, Suganya, Poomani, Kumaradhas
Published in Journal of cellular biochemistry (01.08.2023)
Published in Journal of cellular biochemistry (01.08.2023)
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Journal Article
Binding properties of selective inhibitors of P323L mutated RdRp of SARS-CoV-2: a combined molecular screening, docking and dynamics simulation study
Chinnamadhu, Archana, Ramakrishnan, Jaganathan, Suresh, Suganya, Poomani, Kumaradhas
Published in Journal of biomolecular structure & dynamics (23.05.2024)
Published in Journal of biomolecular structure & dynamics (23.05.2024)
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Journal Article
Dynamics and binding affinity of nucleoside and non-nucleoside inhibitors with RdRp of SARS-CoV-2: a molecular screening, docking, and molecular dynamics simulation study
Chinnamadhu, Archana, Ramakrishnan, Jaganathan, Suresh, Suganya, Ramadurai, Prakash, Poomani, Kumaradhas
Published in Journal of biomolecular structure & dynamics (21.12.2023)
Published in Journal of biomolecular structure & dynamics (21.12.2023)
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Journal Article
Investigation of intermolecular interactions and binding mechanism of PU139 and PU141 molecules with p300 HAT enzyme via molecular docking, molecular dynamics simulations and binding free energy analysis
Ramakrishnan, Jaganathan, Magudeeswaran, Sivanandam, Suresh, Suganya, Poomani, Kumaradhas
Published in Journal of biomolecular structure & dynamics (04.03.2023)
Published in Journal of biomolecular structure & dynamics (04.03.2023)
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Journal Article
Probing the intermolecular interactions, binding affinity, charge density distribution and dynamics of silibinin in dual targets AChE and BACE1: QTAIM and molecular dynamics perspective
Saravanan, Kandasamy, Sugarthi, Srinivasan, Suganya, Suresh, Kumaradhas, Poomani
Published in Journal of biomolecular structure & dynamics (01.01.2022)
Published in Journal of biomolecular structure & dynamics (01.01.2022)
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Journal Article
Crystal structure, intermolecular interactions, charge density distribution and ADME properties of 2-Amino-4-methylpyridinium (oxalate) 0.5: An experimental and theoretical study
Hemalatha, Balasubramanian, Suresh, Suganya, Poomani, Kumaradhas
Published in Chemical Data Collections (01.12.2023)
Published in Chemical Data Collections (01.12.2023)
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Journal Article
Insights on structure and interactions of 2-amino-4-methoxy-6-methylpyrimidinium salts with 4-aminosalicylate and 5-chlorosalicylate: a combined experimental and theoretical charge-density analysis
Suresh, Suganya, Kandasamy, Saravanan, Balasubramanian, Hemalatha, Ramakrishnan, Jaganathan, Poomani, Kumaradhas
Published in Acta crystallographica. Section C, Crystal structure communications (01.03.2022)
Published in Acta crystallographica. Section C, Crystal structure communications (01.03.2022)
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Journal Article
Investigation of bond topological and electrostatic properties of plumbagin molecule: An experimental and theoretical charge density study
Kalaiarasi, Chinnasamy, Sivanandam, Magudeeswaran, Suganya, Suresh, Christy, George, Gonnade, Rajesh G., Hathwar, Venkatesha R., Kumaradhas, Poomani
Published in Journal of molecular structure (15.11.2020)
Published in Journal of molecular structure (15.11.2020)
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Journal Article
Dicyanodistyrylbenzene based positional isomers: a comparative study of AIEE and stimuli responsive multicolour fluorescence switching
Ramya, N. K, Femina, C, Suresh, Suganya, Mohanakumari, Divya S, Krishnan, Retheesh, Thomas, Reji
Published in New journal of chemistry (17.01.2022)
Published in New journal of chemistry (17.01.2022)
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Journal Article
DFT, molecular docking and molecular dynamics simulations of 2-imino-4-oxo-1,3-thiazolidine hydrochloride and its activity against Bacillus pasteurii urease
Karthikeyan, Ammasai, Muthukkumar, Manickam, Nagaraj, Karuppiah, Edozie, Otuokere Ifeanyi, Suganya, Suresh, Kaliyaperumal, Raja, Kamalesu, Subramaniam, Govindasamy, Chandramohan, Sivakumar, Allur Subramaniyan, Kandasamy, Manikandan
Published in Zeitschrift für physikalische Chemie (Neue Folge) (15.12.2023)
Published in Zeitschrift für physikalische Chemie (Neue Folge) (15.12.2023)
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Journal Article
Supramolecular Co-crystal of 2-amino-4-methoxy-6-methyl pyrimidine with sorbic acid: Synthesis, crystal structure and Hirshfeld surface analysis
Suganya, Suresh, Karthikeyan, Ammasai, Srimathi, Vadivel, Kumaradhas, Poomani
Published in Chemical Data Collections (01.10.2020)
Published in Chemical Data Collections (01.10.2020)
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Journal Article
Supramolecular architectures, Hirshfeld surface analysis of 2-Amino 4-methyl pyridinium 4 amino salicylate and 2-Amino 4-methyl pyridinium 5 chloro salicylate
Suresh, Suganya, Ammasai, Karthikeyan, Chinnasamy, Kalaiarasi, Poomani, Kumaradhas
Published in Chemical Data Collections (01.06.2021)
Published in Chemical Data Collections (01.06.2021)
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Journal Article