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15 Papers found for "Molecular Modeling (15)"

Molecular Modeling of Cytochrome P450 1A1 using the newly Crystallized Template structure of CYP1A2-Human

Babar Aslam, Fahed Parvaiz, Rehan Zafar, Umar Niazi

NUST Journal of Natural Sciences | 2010

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Conformational analysis of temalastine

M. A. Haleem, Naheed Akhtar, Waseem Ahmed

Karachi University journal of science | 2004

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Exploring the Potential of Quantum Computing for Drug Design

Archana Archana, Arjun Arjun, Gorika Tomar, Km. Saiphali, Kunal Kunal, Sohom Mukherjee, Surbhi Kamboj

Journal of Neonatal Surgery | 2025

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Density function theory (DFT), spectroscopic, and molecular docking studies of an antidepressant drug

Hadi M Marwani, Khalid Ahmed Alzahrani, Malik Abdul Rub, Mohammad Asad, Muhammad Nadeem Arshad, Naved Azum

Advancements in Life Sciences | 2025

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Analysis of the Malathion molecule structure and proposal of a compound as its replacement

Dario Amaya Hurtado, Jorge Eliecer Buitrago Salazar, Olga Lucia Ramos Sandoval

ARPN Journal of Engineering and Applied Sciences | 2018

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ON ZAGREB INDICES AND ZAGREB POLYNOMIALS OF SINGLE-WALLED TITANIA NANOTUBES

Shakila Baby

Science International | 2016

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New dynamic scoring method for deep evaluation of naloxegol as ?-tubulin binding inhibitor

Hamdullah Khadim Sheikh, Haroon Khan, Jose M Padron, Khurshid Ayub, Shahnila Jamil, Tanzila Arshad, Uzma Habib

Pakistan Journal of Pharmaceutical Sciences | 2024

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DFT for exploring the antioxidant potential of homogentisic and orsellinic acids

Asif Mahmood, Muhammad Saqib, Shahid Iqbal, Sumaira Naeem

Pakistan Journal of Pharmaceutical Sciences | 2013

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Computational study on the geometry optimization and excited – State properties of Riboflavin by ArgusLab 4.0.1

Afshan Naz, Ambreen Hafeez, Khalida Bano, Naheed Akhtar, Sadaf Naeem

Pakistan Journal of Pharmaceutical Sciences | 2013

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Molecular docking studies of withanolides against Cox-2 enzyme

Harani Avasarala, Naveena Kanthasamy, Sathis Kumar Dinakaran, Somsubhra Ghosh, Sravan Prasad Macharala, Sridevi Ranjitha Karanam, Yogeswaran Prabhakaran

Pakistan Journal of Pharmaceutical Sciences | 2012

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