DFT Conformational, Wavefunction Based Reactivity Analysis, Docking and MD Simulations of a Carboxamide Derivative with Potential Anticancer Activity-Reference-Cited by-同舟云学术

DFT Conformational, Wavefunction Based Reactivity Analysis, Docking and MD Simulations of a Carboxamide Derivative with Potential Anticancer Activity

Published:2022-02-06 Issue:2 Volume:43 Page:1590-1601
ISSN:1040-6638
Container-title:Polycyclic Aromatic Compounds
language:en
Short-container-title:Polycyclic Aromatic Compounds

Author:

Al-Otaibi Jamelah S.¹,Sheena Mary Y.²,Shyma Mary Y.²,Aayisha S.³

Affiliation:

1. Department of Chemistry, College of Science, Princess Nourah Bint Abdulrahman University, Riyadh, Saudi Arabia

2. Thushara, Kollam, India

3. Department of Physics, Meenakshi College for Women, Chennai, India

Funder

Princess Nourah bint Abdulrahman University Researchers Supporting Project

Princess Nourah bint Abdulrahman University, Riyadh, Saudi Arabia

Princess Nourah bint Abdulrahman University, Riyadh, Saudi Arabia and The Deanship of Scientific Research at Princess Nourah Bint Abdulrahman University.

Publisher

Informa UK Limited

Subject

Materials Chemistry,Organic Chemistry,Polymers and Plastics

Link

https://www.tandfonline.com/doi/pdf/10.1080/10406638.2022.2032765

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