Saleem Javed

8PUBLICATIONS
22CO-AUTHORS
Biomolecular modelling and designBiologically active moleculesTheoretical quantum chemistryMetal cluster chemistryCancer therapy (excl. chemotherapy and radiation therapy)
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Publications (8)

|Apr 20, 2026
Exploring the binding energies of new pyrazoline derivatives to DNA/BSA: antifungal, antioxidant, MD simulations and TD-DFT studies.

|Jan 31, 2025
1,3,4-oxadiazole derivatives: synthesis, characterization, antifungal activity, DNA binding investigations, TD-DFT calculations, and molecular modelling.

Rabiya Mehandi, Charmy Twala, Saiema Ahmedi

|Nov 09, 2023
Exploring quantum computational, molecular docking, and molecular dynamics simulation with MMGBSA studies of ethyl-2-amino-4-methyl thiophene-3-carboxylate.

Aysha Fatima, Ghazala Khanum, Sanjay Kumar Srivastava

|May 11, 2023
Experimental and theoretical magnetostructural studies on discrete heterometallic cyanide-bridged dinuclear FeIIIMnII and tetranuclear FeIII2CuII2 complexes bearing tripodal pyrazolyl borate and tetradentate phenolate-based ligands.

Akhilesh Kumar, Amit Rajput, Pawanjeet Kaur

|Mar 11, 2023
Quantum Computational, Spectroscopic (FT-IR, FT-Raman, NMR, and UV-Vis) Hirshfeld Surface and Molecular Docking-Dynamics Studies on 5-Hydroxymethyluracil (Monomer and Trimer).

Mohit Kumar, Gautam Jaiswar, Mohd Afzal

|Dec 23, 2022
Evaluation of experimental, computational, molecular docking and dynamic simulation of flucytosine.

Neha Agarwal, Aysha Fatima, Prabuddha Bhattacharya

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Frequent Collaborators

3 joint publications

Himanshu Arora

2 joint publications

Musheer Ahmad

2 joint publications

Aysha Fatima

1 joint publications

Arif Ali