Piotr Cieplak

16PUBLICATIONS
18CO-AUTHORS
Biomolecular modelling and designComputational physiologyAtomic and molecular physicsChemical thermodynamics and energeticsProteins and peptides
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Publications (16)

|Oct 08, 2025
Optimization of Lennard-Jones Parameters for Induced Dipole Polarizable Gaussian Multipole Force Field.

Taoyu Niu, Junmei Wang, Zhen Huang

|Mar 20, 2025
Automated Refinement of Property-Specific Polarizable Gaussian Multipole Water Models Using Bayesian Black-Box Optimization.

Yongxian Wu, Qiang Zhu, Zhen Huang

|Jan 27, 2025
Refinement of Atomic Polarizabilities for a Polarizable Gaussian Multipole Force Field with Simultaneous Considerations of Both Molecular Polarizability Tensors and In-Solution Electrostatic Potentials.

Yong Duan, Junmei Wang, Piotr Cieplak

|Jan 26, 2025
CaXML: Chemistry-informed machine learning explains mutual changes between protein conformations and calcium ions in calcium-binding proteins using structural and topological features.

Pengzhi Zhang, Jules Nde, Yossi Eliaz

|Mar 19, 2024
PCMRESP: A Method for Polarizable Force Field Parameter Development and Transferability of the Polarizable Gaussian Multipole Models Across Multiple Solvents.

Yong Duan, Taoyu Niu, Junmei Wang

|Feb 23, 2024
Assessment of Amino Acid Electrostatic Parametrizations of the Polarizable Gaussian Multipole Model.

Shiji Zhao, Piotr Cieplak, Yong Duan

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Frequent Collaborators

10 joint publications

Yong Duan

10 joint publications

Ray Luo

6 joint publications

Shiji Zhao

3 joint publications

Junmei Wang