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Number of items: 16.

Article

David Stephen, A (2023) In vitro contraceptive activities, molecular docking, molecular dynamics, MM-PBSA, non-covalent interaction and DFT studies of bioactive compounds from Aegle marmelos. Linn., leaves. Frontiers in Chemistry, 11.

David Stephen, A (2023) In vitro contraceptive activities, molecular docking, molecular dynamics, MM-PBSA, non-covalent interaction and DFT studies of bioactive compounds from Aegle marmelos. Linn., leaves. Frontiers in Chemistry, 11.

David Stephen, A (2023) Investigating the potential of organic semiconductor materials by DFT and TD-DFT calculations on aNDTs. Heliyon, 9.

David Stephen, A (2022) Sulfamethoxazole: Molecular docking and crystal structure prediction. Results in Chemistry, 5. pp. 1-9. ISSN 2211-7156

David Stephen, A (2022) Synthesis of 3-Methoxy-6- [(2, 4, 6-trimethyl-phenylamino)-methyl]-phenol Schiff base characterized by spectral, in-silco and in-vitro studies. Heliyon, 8. ISSN 2405-8440

David Stephen, A (2022) Evaluation of diflunisal a difluoro-derivative of salicylic acid as an inhibitor of human serum albumin using molecular docking tools. Journal of Environmental Biology, 43. pp. 1-9. ISSN 2394-0379

David Stephen, A (2022) Evaluation of diflunisal a difluoro-derivative of salicylic acid as an inhibitor of human serum albumin using molecular docking tools. Journal of Environmental Biology, 43. pp. 527-535. ISSN 2394-0379

David Stephen, A (2022) Density functional analysis of conducting molecules: A Theoretical Investigation via QTAIM approach. Turkish Computational and Theoretical Chemistry, 6 (1). pp. 42-51. ISSN 2602-3237

David Stephen, A (2022) Density functional analysis of conducting molecules: A Theoretical Investigation via QTAIM approach. Turkish Computational and Theoretical Chemistry, 6 (1). pp. 42-51. ISSN 2602-3237

David Stephen, A (2022) Synthesis, structural, vibrational, molecular docking and nonlinear optical studies of (E)-N -(2,3 dimethoxybenzylidene)- 4-fluorobenzohydrazide. Journal of Molecular Structure. pp. 1-14. ISSN 0022-2860

David Stephen, A (2021) Validation of crystal structure of 2‐acetamidophenyl acetate: an experimental and theoretical study. JOURNAL OF BIOMOLECULAR STRUCTURE AND DYNAMICS.

David Stephen, A (2021) In silico, theoretical biointerface analysis and in vitro kinetic analysis of amine compounds interaction with acetylcholinesterase and butyrylcholinesterase. International Journal of Biological Macromolecules, 185. pp. 750-760. ISSN 0141-8130

David Stephen, A (2021) In silico, theoretical biointerface analysis and in vitro kinetic analysis of amine compounds interaction with acetylcholinesterase and butyrylcholinesterase. International Journal of Biological Macromolecules, 185. pp. 750-760. ISSN 0141-8130

David Stephen, A (2021) Binding studies of known molecules with acetylcholinesterase and bovine serum albumin: A comparative view. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. pp. 1-14. ISSN 1386-1425

David Stephen, A (2020) Docking and Molecular Dynamic Simulation of Temozolomide with Carbonic Anhydrase XIII. Asian Journal of Organic & Medicinal Chemistry, 5 (4). pp. 332-339. ISSN 2456-8937

David Stephen, A Theoretical search of crystal polymorphs of temozolomide. Heliyon, 8. pp. 1-14. ISSN 2405-8440

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