Molecular dynamics simulations in drug discovery and pharmaceutical development OMH Salo-Ahen, I Alanko, R Bhadane, AMJJ Bonvin, RV Honorato, ... Processes 9 (1), 71, 2020 | 281 | 2020 |
Active site opening and closure control translocation of multisubunit RNA polymerase AM Malinen, M Turtola, M Parthiban, L Vainonen, MS Johnson, ... Nucleic acids research 40 (15), 7442-7451, 2012 | 95 | 2012 |
100 ns molecular dynamics simulations to study intramolecular conformational changes in Bax C Koshy, M Parthiban, R Sowdhamini Journal of Biomolecular Structure and Dynamics 28 (1), 71-83, 2010 | 75 | 2010 |
Molecular Modeling of Human Pentameric α7 Neuronal Nicotinic Acetylcholine Receptor and Its Interaction with its Agonist and Competitive Antagonist M Parthiban, MB Rajasekaran, S Ramakumar, P Shanmughavel Journal of Biomolecular Structure and Dynamics 26 (5), 535-547, 2009 | 41 | 2009 |
PrionHome: a database of prions and other sequences relevant to prion phenomena D Harbi, M Parthiban, DMA Gendoo, S Ehsani, M Kumar, G Schmitt-Ulms, ... PloS one 7 (2), e31785, 2012 | 32 | 2012 |
Plasma protein binding of anisomelic acid: Spectroscopy and molecular dynamic simulations R Senthilkumar, P Marimuthu, P Paul, Y Manojkumar, S Arunachalam, ... Journal of chemical information and modeling 56 (12), 2401-2412, 2016 | 29 | 2016 |
Zebavidin-An avidin-like protein from zebrafish B Taskinen, J Zmurko, M Ojanen, S Kukkurainen, M Parthiban, ... PLoS One 8 (10), e77207, 2013 | 24 | 2013 |
Prediction of hot spots at myeloid cell leukemia-1–inhibitor interface using energy estimation and alanine scanning mutagenesis P Marimuthu, K Singaravelu Biochemistry 57 (7), 1249-1261, 2018 | 20 | 2018 |
Molecular dynamics simulations in drug discovery and pharmaceutical development. Processes. 2020; 9 (1): 71 OMH Salo-Ahen, I Alanko, R Bhadane, A Bonvin, RV Honorato, ... | 20 | |
Exploring the binding mechanism between methylene blue and ovalbumin using spectroscopic analyses and computational simulations P Manivel, M Parthiban, M Ilanchelian Journal of Biomolecular Structure and Dynamics, 2020 | 15 | 2020 |
Deciphering the crucial residues involved in heterodimerization of Bak peptide and anti-apoptotic proteins for apoptosis P Marimuthu, K Singaravelu Journal of Biomolecular Structure and Dynamics 36 (6), 1637-1648, 2018 | 15 | 2018 |
Cu (HBTC)(4, 4′-bipy)· 3DMF nanorods supported on platinum electrode as an electrochemical sensing platform for efficient vitamin B12 detection P Manivel, K Madasamy, V Suryanarayanan, N Nesakumar, ... Journal of the Taiwan Institute of Chemical Engineers 96, 1-10, 2019 | 14 | 2019 |
An Insilico approach to High Altitude Pulmonary Edema - Molecular modeling of human β2 adrenergic receptor and its interaction with Salmeterol & Nifedipine GD Chandramoorthi, S Piramanayagam, P Marimuthu Journal of molecular modeling 14, 849-856, 2008 | 14 | 2008 |
Deciphering the crucial molecular properties of a series of Benzothiazole Hydrazone inhibitors that targets anti-apoptotic Bcl-xL protein P Marimuthu, PK Balasubramanian, K Singaravelu Journal of Biomolecular Structure and Dynamics 36 (10), 2654-2667, 2018 | 13 | 2018 |
Probing the binding mechanism of mercaptoguanine derivatives as inhibitors of HPPK by docking and molecular dynamics simulations P Marimuthu, K Singaravelu, V Namasivayam Journal of Biomolecular Structure and Dynamics 35 (16), 3507-3521, 2017 | 12 | 2017 |
Investigation into the site-specific binding interactions between chlorogenic acid and ovalbumin using multi-spectroscopic and in silico simulation studies M Perumal, P Marimuthu, X Chen Journal of Biomolecular Structure and Dynamics 40 (14), 6619-6633, 2022 | 11 | 2022 |
In silico approaches to evaluate the molecular properties of organophosphate compounds to inhibit acetylcholinesterase activity in housefly P Marimuthu, YJ Lee, BH Kim, SS Seo Journal of Biomolecular Structure and Dynamics 37 (2), 307-320, 2019 | 11 | 2019 |
Unraveling the molecular mechanism of benzothiophene and benzofuran scaffold-merged compounds binding to anti-apoptotic Myeloid cell leukemia 1 P Marimuthu, K Singaravelu Journal of Biomolecular Structure and Dynamics 37 (8), 1992-2003, 2019 | 8 | 2019 |
Effect of electric field on α-synuclein fibrils: Revealed by molecular dynamics simulations J Razzokov, S Fazliev, M Makhkamov, P Marimuthu, A Baev, E Kurganov International Journal of Molecular Sciences 24 (7), 6312, 2023 | 7 | 2023 |
Penetration of chitosan into the single walled armchair carbon nanotubes: atomic scale insight J Razzokov, P Marimuthu, K Saidov, O Ruzimuradov, S Mamatkulov Crystals 11 (10), 1174, 2021 | 7 | 2021 |