Growth, spectral, optical, electrical and computational analysis of sodium oxalate single crystals

por Ramalakshmi, R., Stella Mary, S., Shahil Kirupavathy, S., Muthu, S., Thomas, Renjith
Publicado 2021

DFT and molecular docking investigations of oxicam derivatives

por Mary, Y.Shyma, Mary, Y.Sheena, Resmi, K.S., Thomas, Renjith
Publicado 2019

Structural investigations, quantum mechanical studies on proton and metal affinity and biological activity predictions of selpercatinib

por Al-Zaqri, Nabil, Pooventhiran, T., Alharthi, Fahad A., Bhattacharyya, Utsab, Thomas, Renjith
Publicado 2021

Structural and physico-chemical evaluation of melatonin and its solution-state excited properties, with emphasis on its binding with novel coronavirus proteins

por Al-Zaqri, Nabil, Pooventhiran, T., Alsalme, Ali, Warad, Ismail, John, Athira M., Thomas, Renjith
Publicado 2020

Detailed quantum mechanical, molecular docking, QSAR prediction, photovoltaic light harvesting efficiency analysis of benzil and its halogenated analogues

por Mary, Y. Shyma, Mary, Y. Sheena, Resmi, K.S., Kumar, Veena S., Thomas, Renjith, Sureshkumar, B.
Publicado 2019

Modelling the structural and reactivity landscapes of tucatinib with special reference to its wavefunction-dependent properties and screening for potential antiviral activity

por Alsalme, Ali, Pooventhiran, T., Al-Zaqri, Nabil, Rao, D. Jagadeeswara, Rao, Siriki Srinivasa, Thomas, Renjith
Publicado 2020

Synthesis and investigation of anti-COVID19 ability of ferrocene Schiff base derivatives by quantum chemical and molecular docking

por Abbas, Ghulam, Irfan, Ahmad, Ahmed, Ishtiaq, Al-Zeidaneen, Firas Khalil, Muthu, S., Fuhr, Olaf, Thomas, Renjith
Publicado 2022

Excited-state electronic properties, structural studies, noncovalent interactions, and inhibition of the novel severe acute respiratory syndrome coronavirus 2 proteins in Ripretini...

por Alharthi, Fahad A., Al-Zaqri, Nabil, Alsalme, Ali, Al-Taleb, Afnan, Pooventhiran, T., Thomas, Renjith, Rao, D. Jagadeeswara
Publicado 2021

Conformational profile, vibrational assignments, NLO properties and molecular docking of biologically active herbicide1,1-dimethyl-3-phenylurea

por Haruna, K., Kumar, Veena S., Sheena Mary, Y., Popoola, S.A., Thomas, Renjith, Roxy, M.S., Al-Saadi, A.A.
Publicado 2019

Detailed molecular structure (XRD), conformational search, spectroscopic characterization (IR, Raman, UV, fluorescence), quantum mechanical properties and bioactivity prediction of...

por Srikanth, Katta Eswar, Veeraiah, A., Pooventhiran, T., Thomas, Renjith, Solomon, K. Anand, Soma Raju, Ch.J., Latha, J. Naveena Lavanya
Publicado 2020

Energy and reactivity profile and proton affinity analysis of rimegepant with special reference to its potential activity against SARS-CoV-2 virus proteins using molecular dynamics

por Pooventhiran, T., Marondedze, Ephraim Felix, Govender, Penny Poomani, Bhattacharyya, Utsab, Rao, D. Jagadeeswara, Aazam, Elham S., Kuthanapillil, Jinesh M., E, Tomlal Jose, Thomas, Renjith
Publicado 2021

Synthesis and Biological Evaluation of Octahydroquinazolinones as Phospholipase A2, and Protease Inhibitors: Experimental and Theoretical Exploration

por Bakht, Md. Afroz, Pooventhiran, Thangaiyan, Thomas, Renjith, Kamal, Mehnaz, Din, Israf Ud, Rehman, Najeeb Ur, Ali, Imtiaz, Ajmal, Noushin, Ahsan, Mohamed Jawed
Publicado 2023