Pengfei Li

31PUBLICATIONS

62CO-AUTHORS

Main group metal chemistryMedical devicesAtomic and molecular physicsBiomolecular modelling and designComputational chemistry

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Publications (31)

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|Jun 08, 2026

Beyond Single Structures: The Role of Structural Ensembles in Discrete-Continuum Modeling of Highly Charged Metal Ions.

|Sep 07, 2025

Electron Pushing: Variants That Alter the Catalytic Distribution of Electrons in Dihydroorotate Dehydrogenase 1B from Lactococcus lactis.

Corine O Smith, Richa Khatiwada, Pengfei Li

|May 29, 2025

Deciphering Atomic Polarizability: The Absolute Radii and Orbital Contributions Visited.

Richa Khatiwada, Pengfei Li

|Nov 21, 2024

Development of Accurate Force Fields for Mg2+ and Triphosphate Interactions in ATP·Mg2+ and GTP·Mg2+ Complexes.

Fangchen Hu, Yuwei Zhang, Pengfei Li

|Nov 21, 2024

Accuracy of Discrete-Continuum Solvation Model for Cations: A Benchmark Study.

Bailey Hanson, Madelyn Smith, Pengfei Li

|Oct 12, 2024

Parameterization of a Fluctuating Charge Model for Complexes Containing 3d Transition Metals.

Luke Landry, Pengfei Li

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Frequent Collaborators

10 joint publications

Kenneth M Merz

7 joint publications

Sharon Hammes-Schiffer

Zhen Li

Madelyn Smith

Lin Frank Song

Richa Khatiwada

Zhuoqin Yu

Luke Landry

Bailey Hanson

Jinshuai Song

Frequent Collaborators

10 joint publications

Kenneth M Merz

7 joint publications

Sharon Hammes-Schiffer

6 joint publications

Zhen Li

5 joint publications

Madelyn Smith