Muzammal Hussain

5PUBLICATIONS
8CO-AUTHORS
Computational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Cheminformatics and quantitative structure-activity relationshipsComputational chemistryBiomolecular modelling and design
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Publications (5)

|Jun 24, 2026
Generative Replica Exchange: A Flow-Based Framework for Accelerating Replica-Exchange Simulations.

|Apr 06, 2026
Structure-Based Virtual Screening of New Skp1 Inhibitor Chemotypes Targeting F-Box Binding Interface.

Muzammal Hussain, Yongzhi Lu, Gui-Zhen Wang

|Nov 03, 2025
Standards for Computational Methods in Drug Design and Discovery: Simplified Guidance for Authors and Reviewers.

Tamer M Ibrahim, Muzammal Hussain, Frank M Boeckler

|Mar 18, 2025
Designing Macrocyclic Kinase Inhibitors Using Macrocycle Scaffold Hopping with Reinforced Learning (Macro-Hop).

Hong Liang, Shengjie Huang, Xinxin Xu

|Jul 25, 2024
Dynamics Playing a Key Role in the Covalent Binding of Inhibitors to Focal Adhesion Kinase.

Yiling Liu, Jundong Tan, Shiliang Hu

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Frequent Collaborators

3 joint publications

Xiaoyun Lu

3 joint publications

Yang Zhou

2 joint publications

Yaoquan Tu

1 joint publications

Zhao Yin