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Journal of Biomolecular Structure and Dynamics Volume 40, 2022 - Issue 21
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Research Articles

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

Stève-Jonathan Koyambo-Konzapaa Département de Physique, Faculté des Sciences, Université de Bangui, Bangui, Central African RepublicCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0003-1781-0192View further author information
ORCID Icon,
Gilbert Yvon Mbesse Kongbongaa Département de Physique, Faculté des Sciences, Université de Bangui, Bangui, Central African RepublicView further author information
,
Premkumar Rb PG and Research Department of Physics, N. M. S. S. V. N College, Madurai, Tamil Nadu, IndiaView further author information
,
Berthelot Saïd Duvalier Ramlina Vamhindic Department of Physics, Faculty of Science, University of Maroua, Maroua, CameroonView further author information
,
Mama Nsangoud Departement of Physics, Faculty of Science, The University of Ngaoundere, Ngaoundere, Cameroon;e Higher Teacher’s Training College, The University of Maroua, Maroua, CameroonView further author information
&
A. Milton Franklin Benialb PG and Research Department of Physics, N. M. S. S. V. N College, Madurai, Tamil Nadu, IndiaView further author information
Pages 10651-10664 | Received 03 Mar 2021, Accepted 19 Jun 2021, Published online: 15 Jul 2021

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Abraham Hudson Mark J.Premkumar R.Sangeetha R.Lakshmi A.Langeswaran K.. (2023) Structural, Quantum Chemical, Molecular Docking, and Dynamics Studies of Quercetin—A Potent Inhibitor for Colon Cancer. Polycyclic Aromatic Compounds 43:9, pages 8426-8441.
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R. Sangeetha, R. Premkumar, S. S. Maithili, C. Kirubhanand, S. Gowtham Kumar, P. Sangavi & K. Langeswaran. (2023) Spectroscopic, Solvent Effect, Molecular Docking and Molecular Dynamics Investigations on Phytocompounds from Elettaria cardamomum against Covid-19. Polycyclic Aromatic Compounds 43:5, pages 4184-4202.
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T. Rajesh Kumar, R. Premkumar, K. Langeswaran, K. Ramavenkateswari, S. Anitha, P. Sangavi & R. Sangeetha. (2023) Virtual screening, molecular docking, molecular dynamics and quantum chemical studies on (2-methoxy-4-prop-2-enylphenyl) N-(2-methoxy-4-nitrophenyl) carbamate: a novel inhibitor of hepatocellular carcinoma. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-10.
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C. Kirubhanand, J. Merciline Leonora, S. Anitha, R. Sangeetha, K. T. Nachammai, K. Langeswaran & S. Gowtham Kumar. (2023) Targeting potential receptor molecules in non-small cell lung cancer (NSCLC) using in silico approaches. Frontiers in Molecular Biosciences 10.
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Sameer Quazi. (2022) Anti-cancer activity of human gastrointestinal bacteria. Medical Oncology 39:12.
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