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List of works by Xiangda Peng

A Polarizable Atomic Multipole-Based Force Field for Molecular Dynamics Simulations of Anionic Lipids

scientific article published on 31 December 2017

Accurate Evaluation of Ion Conductivity of the Gramicidin A Channel Using a Polarizable Force Field without Any Corrections

scientific article published on 19 May 2016

Computational discovery and experimental verification of tyrosine kinase inhibitor pazopanib for the reversal of memory and cognitive deficits in rat model neurodegeneration.

scientific article

Free energy simulations with the AMOEBA polarizable force field and metadynamics on GPU platform

scientific article published on 23 October 2015

Integrating Multiple Accelerated Molecular Dynamics to Improve Accuracy of Free Energy Calculation.

scientific article published on 2 February 2018

Prediction and Validation of a Protein’s Free Energy Surface Using Hydrogen Exchange and (Importantly) Its Denaturant Dependence

scientific article published on 22 December 2021

Structural insight into precursor tRNA processing by yeast ribonuclease P

scientific article

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