Peng Tao

52PUBLICATIONS
101CO-AUTHORS
Theory and design of materialsBiologically active moleculesPhylogeny and comparative analysisMolecular targetsMolecular imaging (incl. electron microscopy and neutron diffraction)
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Publications (52)

|Jul 14, 2026
Programming Multidomain Peptides With Molecular Frustration Into Biomolecular Condensates.

|May 18, 2026
Functional dynamics of water in New Delhi metallo-β-lactamase catalysis.

|Jan 02, 2026
Efficient Sampling of Short Protein Trajectories with Conditional Diffusion Models.

Chuanye Xiong, Palanisamy Kandhan, Dongyang Chen

|Jul 17, 2025
Exploring binding and allosteric energy landscapes for the KRAS interactions with effector proteins using Markov state modeling of conformational ensembles and allosteric network modeling.

Sian Xiao, Mohammed Alshahrani, Guang Hu

|May 09, 2025
Viscosity effects on the chemiluminescence emission of 1,2-dioxetanes in water.

Maidileyvis Castro Cabello, Palanisamy Kandhan, Peng Tao

|Nov 01, 2024
Probing Functional Allosteric States and Conformational Ensembles of the Allosteric Protein Kinase States and Mutants: Atomistic Modeling and Comparative Analysis of AlphaFold2, OmegaFold, and AlphaFlow Approaches and Adaptations.

Nishank Raisinghani, Mohammed Alshahrani, Grace Gupta

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Frequent Collaborators

22 joint publications

Gennady Verkhivker

19 joint publications

Sian Xiao

12 joint publications

Hao Tian

7 joint publications

Mohammed Alshahrani