DFT and molecular docking investigations of oxicam derivatives

by Y.Shyma Mary, Y.Sheena Mary, K.S. Resmi, Renjith Thomas
Published 2019-07-01

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

by Y. Shyma Mary, Y. Sheena Mary, K.S. Resmi, Veena S. Kumar, Renjith Thomas, B. Sureshkumar
Published 2019-11-01

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

by K. Haruna, Veena S. Kumar, Y. Sheena Mary, S.A. Popoola, Renjith Thomas, M.S. Roxy, A.A. Al-Saadi
Published 2019-06-01

Conformational analysis and quantum descriptors of two new imidazole derivatives by experimental, DFT, AIM, molecular docking studies and adsorption activity on graphene

by Veena S. Kumar, Y. Sheena Mary, Kiran Pradhan, Dhiraj Brahman, Y. Shyma Mary, Goncagül Serdaroğlu, Ali Shokuhi Rad, M.S. Roxy
Published 2020-10-01