SERS and DFT studies of 2‐(trichloroacetyl)pyrrole chemisorbed on the surface of silver and gold coated thin films: In perspective of biosensor applications
Premkumar, R., Hussain, Shamima, Koyambo‐Konzapa, Stève‐Jonathan, Jayram, Naidu Dhanpal, Meera, M.R., Mathavan, T., Benial, A. Milton Franklin
Published in Journal of molecular recognition (01.11.2021)
Published in Journal of molecular recognition (01.11.2021)
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Journal Article
DFT investigation on the structural and vibrational behaviours of the non-protein amino acids in hybrid explicit/continuum solvent: a case of the zwitterions γ-aminobutyric and α − aminoisobutyric acids
Dague, Yves, Koyambo-Konzapa, Stève-Jonathan, Nose, Holliness, Minguirbara, Alain, Nsangou, Mama, Amolo, George
Published in Journal of molecular modeling (01.01.2024)
Published in Journal of molecular modeling (01.01.2024)
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Journal Article
Solvent effects on the structural, spectroscopic, electronic properties, NCI-RDG analysis, molecular docking and molecular dynamics studies of 1-benzyl-indole-3-carbinol
Koyambo-Konzapa, Stève-Jonathan, Premkumar, R., Amolo, George, Nsangou, Mama
Published in Journal of molecular liquids (15.02.2024)
Published in Journal of molecular liquids (15.02.2024)
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Journal Article
SERS and DFT investigations of methyl 4‑bromo-1H-pyrrole-2-carboxylate adsorbed on silver and gold substrates: In perspective of biosensor applications
Premkumar, R., Hussain, Shamima, Koyambo-Konzapa, Stève-Jonathan, Jayram, Naidu Dhanpal, Mathavan, T., Benial, A. Milton Franklin
Published in Journal of molecular structure (15.07.2021)
Published in Journal of molecular structure (15.07.2021)
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Journal Article
Adsorption and orientation characteristics of 1-methylpyrrole-2-carbonyl chloride using SERS and DFT investigations
Premkumar, R., Hussain, Shamima, Jayram, Naidu Dhanpal, Koyambo-Konzapa, Stève-Jonathan, Revathy, M.S., Mathavan, T., Milton Franklin Benial, A.
Published in Journal of molecular structure (05.04.2022)
Published in Journal of molecular structure (05.04.2022)
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Journal Article
Spectroscopic, quantum chemical, molecular docking and molecular dynamics investigations of hydroxylic indole-3-pyruvic acid: a potent candidate for nonlinear optical applications and Alzheimer's drug
Koyambo-Konzapa, Stève-Jonathan, Mbesse Kongbonga, Gilbert Yvon, R, Premkumar, Ramlina Vamhindi, Berthelot Saïd Duvalier, Nsangou, Mama, Franklin Benial, A. Milton
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
Hydration effects on molecular structure, vibrational, electronic properties, drug-likeness analysis, molecular docking, and molecular dynamics studies of (Z)-3-(2-oxo-2-phenylethylidene)indolin-2-one
Koyambo-Konzapa, Stève–Jonathan, Aljazzar, Samar O., Kongbonga, Gilbert Yvon Mbesse, Al-Humaidi, Jehan Y., Mukhrish, Yousef E., Muthu, S., Oubella, Ali
Published in Journal of molecular liquids (15.09.2024)
Published in Journal of molecular liquids (15.09.2024)
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Journal Article
Synthesis, molecular docking, molecular dynamics and ADMET prediction studies of novel (S)-Verbenone-Arylidene -Isoxazoline hybrids
Fawzi, Mourad, Laamari, Yassine, Koyambo-Konzapa, Stève-Jonathan, Zouaghi, Mohamed Oussama, Oubella, Ali, Alotaibi, Saad H., Alotaibi, Fawziah M., Varadharajan, Venkatramanan, Aititto, Moulay Youssef, Auhmani, Aziz
Published in Journal of molecular structure (15.12.2024)
Published in Journal of molecular structure (15.12.2024)
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Journal Article
Molecular structure, spectroscopic (FT-IR, NMR and UV–Vis), electronic properties, molecular docking, and molecular dynamics studies on novel thiazolidinone derivative: A potent breast cancer drug
Koyambo-Konzapa, Stève-Jonathan, Oubella, Ali, Issaoui, Noureddine, Amolo, George, Taha, Mohamed Labd, Geesi, Mohammed H., Aldakhil, Taibah, Riadi, Yassine, Auhmani, Aziz, Itto, My Youssef Ait
Published in Journal of molecular structure (15.12.2024)
Published in Journal of molecular structure (15.12.2024)
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Journal Article
Electronic, spectroscopic, molecular docking and molecular dynamics studies of neutral and zwitterionic forms of 3, 4-dihydroxy-l-phenylalanine: A novel lung cancer drug
Koyambo-Konzapa, Stève-Jonathan, Premkumar, R., Berthelot Saïd Duvalier, Ramlina Vamhindi, Gilbert Yvon, Mbesse Kongbonga, Nsangou, Mama, Benial, A. Milton Franklin
Published in Journal of molecular structure (15.07.2022)
Published in Journal of molecular structure (15.07.2022)
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Journal Article
Computational and experimental characterisation of a new (R)-camphor-Thiazolidinone derivative: A combined approach for structure optimisation and activity prediction
Koyambo-Konzapa, Stève-Jonathan, Geesi, Mohammed H., Oubella, Ali, Alamri, Mubarak A., Ibrahim, Mahmoud A.A., Akman, Feride, Taha, Mohamed labd, Riadi, Yassine, Auhmani, Aziz, Ait Itto, My Youssef
Published in Journal of molecular liquids (15.09.2024)
Published in Journal of molecular liquids (15.09.2024)
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Journal Article
Intermolecular interactions in water and ethanol solution of ethyl acetate: Raman, DFT, MEP, FMO, AIM, NCI-RDG, ELF, and LOL analyses
Jumabaev, Abduvakhid, Koyambo-Konzapa, Stève-Jonathan, Hushvaktov, Hakim, Absanov, Ahmad, Khudaykulov, Bekzod, Holikulov, Utkirjon, Ernazarov, Zokhid, Issaoui, Noureddine, Al-Dossary, Omar M., Nsangou, Mama
Published in Journal of molecular modeling (25.09.2024)
Published in Journal of molecular modeling (25.09.2024)
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Journal Article
Effects of counterions and solvents on the geometrical and vibrational features of dinucleoside-monophosphate (dNMP): case of 3',5'-dideoxycytidine-monophosphate (dDCMP)
Minguirbara, Alain, Vamhindi, Berthelot Saïd Duvalier Ramlina, Koyambo-Konzapa, Stève Jonathan, Nsangou, Mama
Published in Journal of molecular modeling (13.04.2020)
Published in Journal of molecular modeling (13.04.2020)
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