Conformational, Reactivity Analysis, Wavefunction-Based Properties, Molecular Docking and Simulations of a Benzamide Derivative with Potential Antitumor Activity-DFT and MD Simulations

Journal article

Peer reviewed

Jamelah S. Al-Otaibi, Y. Sheena Mary, Y. Shyma Mary, M. Thirunavukkarasu, Ravi Trivedi and Brahmananda Chakraborty

Polycyclic aromatic compounds, Vol.43(3), pp.2015-2031

16/03/2023

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Title: Conformational, Reactivity Analysis, Wavefunction-Based Properties, Molecular Docking and Simulations of a Benzamide Derivative with Potential Antitumor Activity-DFT and MD Simulations
Creators - without role: Jamelah S. Al-Otaibi - Princess Nourah bint Abdulrahman University
Y. Sheena Mary - Thushara, Kollam, Kerala, India
Y. Shyma Mary - Thushara, Kollam, Kerala, India
M. Thirunavukkarasu - American College, Madurai
Ravi Trivedi - Indian Institute of Technology Bombay
Brahmananda Chakraborty - Bhabha Atomic Research Centre
Publication Details: Polycyclic aromatic compounds, Vol.43(3), pp.2015-2031
Identifiers: 9927540308331
Academic Unit: Princess Nourah bint Abdulrahman University
Language: English
Resource Type: Journal article