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List of works by Kaifu Gao

A Network of Conformational Transitions Revealed by Molecular Dynamics Simulations of the Binary Complex of Escherichia coli 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase with MgATP.

scientific article published on 30 November 2016

A Network of Conformational Transitions in the Apo Form of NDM-1 Enzyme Revealed by MD Simulation and a Markov State Model.

scientific article

A kinetic model of multiple phenotypic states for breast cancer cells.

scientific article

Binding enthalpy calculations for a neutral host-guest pair yield widely divergent salt effects across water models.

scientific article

Entropic effects enable life at extreme temperatures

scientific article published on 01 May 2019

Machine Learning Analysis of Cocaine Addiction Informed by DAT, SERT, and NET-Based Interactome Networks

scientific article published on 16 March 2022

Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2

publication published on 20 May 2022

Molecular dynamics simulations of the Escherichia coli HPPK apo-enzyme reveal a network of conformational transitions.

scientific article published on 22 October 2015

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