| Novel 2019 coronavirus structure, mechanism of action, antiviral drug promises and rule out against its treatment S Boopathi, AB Poma, P Kolandaivel Journal of Biomolecular Structure and Dynamics 39 (9), 3409-3418, 2021 | 707 | 2021 |
| Fe2+ binding on amyloid β‐peptide promotes aggregation S Boopathi, P Kolandaivel Proteins: Structure, Function, and Bioinformatics 84 (9), 1257-1274, 2016 | 75 | 2016 |
| Characterization of structural and energetic differences between conformations of the SARS-CoV-2 spike protein RA Moreira, HV Guzman, S Boopathi, JL Baker, AB Poma Materials 13 (23), 5362, 2020 | 68 | 2020 |
| Role of zinc and copper metal ions in amyloid β-peptides Aβ 1–40 and Aβ 1–42 aggregation S Boopathi, P Kolandaivel RSC Advances 4 (73), 38951-38965, 2014 | 42 | 2014 |
| Microsolvation and hydrogen bond interactions in glycine dipeptide: molecular dynamics and density functional theory studies B Yogeswari, R Kanakaraju, S Boopathi, P Kolandaivel Journal of Molecular Graphics and Modelling 35, 11-20, 2012 | 35 | 2012 |
| Study on the inter-and intra-peptide salt-bridge mechanism of Aβ 23–28 oligomer interaction with small molecules: QM/MM method S Boopathi, P Kolandaivel Molecular BioSystems 11 (7), 2031-2041, 2015 | 24 | 2015 |
| Catalytic oxidation of primary aromatic alcohols using half sandwich Ir (III), Rh (III) and Ru (II) complexes: A practical and theoretical study S Thangavel, S Boopathi, N Mahadevaiah, P Kolandaivel, PB Pansuriya, ... Journal of Molecular Catalysis A: Chemical 423, 160-171, 2016 | 23 | 2016 |
| Targeted studies on the interaction of nicotine and morin molecules with amyloid β-protein S Boopathi, P Kolandaivel Journal of molecular modeling 20, 1-15, 2014 | 20 | 2014 |
| An overview of several inhibitors for Alzheimer’s disease: characterization and failure S Boopathi, AB Poma, R Garduño-Juárez International Journal of Molecular Sciences 22 (19), 10798, 2021 | 18 | 2021 |
| Characterization of a new molecule capable of inhibiting several steps of the amyloid cascade in Alzheimer's disease C Peters, D Bascuñán, CF Burgos, C Bobadilla, J González-Sanmiguel, ... Neurobiology of Disease 141, 104938, 2020 | 15 | 2020 |
| Molecular dynamics simulations and density functional theory studies of NALMA and NAGMA dipeptides S Boopathi, P Kolandaivel Journal of Biomolecular Structure and Dynamics 31 (2), 158-173, 2013 | 15 | 2013 |
| Zinc binding promotes greater hydrophobicity in Alzheimer's Aβ42 peptide than copper binding: Molecular dynamics and solvation thermodynamics studies S Boopathi, P Dinh Quoc Huy, W Gonzalez, PE Theodorakis, MS Li Proteins: Structure, Function, and Bioinformatics 88 (10), 1285-1302, 2020 | 14 | 2020 |
| Gabapentin inhibits multiple steps in the amyloid beta toxicity cascade J González-Sanmiguel, CF Burgos, D Bascuñán, EJ Fernández-Pérez, ... ACS Chemical Neuroscience 11 (19), 3064-3076, 2020 | 10 | 2020 |
| Calcium inhibits penetration of Alzheimer's Aβ1–42 monomers into the membrane S Boopathi, R Garduño‐Juárez Proteins: Structure, Function, and Bioinformatics 90 (12), 2124-2143, 2022 | 7 | 2022 |
| Combined theoretical studies on solvation and hydrogen bond interactions in glycine tripeptide B Yogeswari, R Kanakaraju, S Boopathi, P Kolandaivel Molecular Simulation 40 (12), 942-958, 2014 | 7 | 2014 |
| Molecular dynamics and quantum chemical studies of solvent effects on cyclo glycylglycine and glycylalanine dipeptides B Yogeswari, R Kanakaraju, S Boopathi, P Kolandaivel Molecular Simulation 39 (8), 670-687, 2013 | 6 | 2013 |
| Effect of mutation on Aβ1-42-Heme complex in aggregation mechanism: Alzheimer’s disease S Boopathi, P Kolandaivel Journal of Molecular Graphics and Modelling 76, 224-233, 2017 | 5 | 2017 |
| The Stimulatory Effects of Intracellular α-Synuclein on Synaptic Transmission Are Attenuated by 2-Octahydroisoquinolin-2 (1H)-ylethanamine AE Ramirez, EJ Fernández-Pérez, N Olivos, CF Burgos, S Boopathi, ... International Journal of Molecular Sciences 22 (24), 13253, 2021 | 1 | 2021 |
| A Small Molecule Impedes the Aβ1–42 Tetramer Neurotoxicity by Preserving Membrane Integrity: Microsecond Multiscale Simulations S Boopathi, R Garduño-Juárez ACS Chemical Neuroscience 15 (19), 3496-3512, 2024 | | 2024 |
| https://acmor.org/publicaciones/bases-moleculares-de-la-enfermedad-de-alzheimer S Boopathi, R Garduño-Juárez BASES MOLECULARES DE LA ENFERMEDAD DE ALZHEIMER, NEWS PAPER:La Union de …, 2022 | | 2022 |
Adolfo Poma, Dr. Hab.Group leader - Multiscale Modelling of Complex Systems at IPPT-PANVerified email at ippt.pan.pl