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Computational Biology and Chemistry|October 8, 2024
Investigation of dual inhibition of antibacterial and antiarthritic drug candidates using combined approach including molecular dynamics, docking and quantum chemical methodsShabbir Muhammad, Amina Faiz, Shamsa Bibi, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|December 21, 2012
Interplay between the diradical character and third-order nonlinear optical properties in fullerene systemsShabbir Muhammad, Kotaro Fukuda, Takuya Minami, et al.
ACS Omega|October 9, 2023
Molecular Engineering of Anthracene Core-Based Hole-Transporting Materials for Organic and Perovskite PhotovoltaicsAaida Shafiq, Muhammad Adnan, Riaz Hussain, et al.
ACS Omega|January 17, 2022
Bithieno Thiophene-Based Small Molecules for Application as Donor Materials for Organic Solar Cells and Hole Transport Materials for Perovskite Solar CellsAlvina Rasool, Saba Zahid, Muhammad Ans, et al.
Physical Chemistry Chemical Physics : PCCP|April 30, 2010
Quantum chemical study of benzimidazole derivatives to tune the second-order nonlinear optical molecular switching by proton abstractionShabbir Muhammad, Hongliang Xu, Muhammad Ramzan Saeed Ashraf Janjua, et al.
Briefings in Functional Genomics|July 22, 2022
Diversity and novel mutations in membrane transporters of Mycobacterium tuberculosisMuhammad Tahir Khan, Taj Ali Khan, Irshad Ahmad, et al.
Journal of Molecular Graphics & Modelling|April 5, 2025
Optimizing nonlinear optical and photovoltaic performance in butterfly-shaped carbazole vs. borole derivatives: An implicit and explicit solvents-driven approachSaliha Fatima, Shabbir Muhammad, Muhammad Adnan, et al.
Journal of Molecular Modeling|August 31, 2019
Exploring the potential of novel transition metal complexes derived from ONO donor type ligand: a quantum chemical studyShamraiz Hussain Talib, Sajjad Hussain, Shabbir Muhammad, et al.
Journal of Molecular Graphics & Modelling|May 25, 2021
Inorganic electrides of alkali metal doped Zn<sub>12</sub>O<sub>12</sub> nanocage with excellent nonlinear optical responseSaima Khan, Mazhar Amjad Gilani, Sajida Munsif, et al.
Computational Biology and Chemistry|January 12, 2025
In-silico discovery of efficient second-generation drug derivatives with enhanced antihistamine potency and selectivityMohammad Y Alshahrani, Ariha Zaid, Muath Suliman, et al.
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