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List of works by Ya Gao

A coupled two-dimensional main chain torsional potential for protein dynamics: generation and implementation.

scientific article

A method for efficient calculation of thermal stability of proteins upon point mutations

scientific article published on 13 April 2020

A quantum mechanical computational method for modeling electrostatic and solvation effects of protein.

scientific article

Effect of mutations on drug resistance of smoothened receptor toward inhibitors probed by molecular modeling

scientific article published in February 2020

Evaluation of the Coupled Two-Dimensional Main Chain Torsional Potential in Modeling Intrinsically Disordered Proteins

scientific article

Exploring drug-resistant mechanisms of I84V mutation in HIV-1 protease toward different inhibitors by thermodynamics integration and solvated interaction energy method

article

Folding of a helix is critically stabilized by polarization of backbone hydrogen bonds: study in explicit water

scientific article published on 05 March 2012

Implementing electrostatic polarization cannot fill the gap between experimental and theoretical measurements for the ultrafast fluorescence decay of myoglobin.

scientific article

Origins of Protons in C-H Bond Insertion Products of Phenols: Proton-Self-Sufficient Function via Water Molecules.

scientific article published on 28 July 2017

Polarization of intraprotein hydrogen bond is critical to thermal stability of short helix

scientific article published on 12 December 2011

The intrinsic helical propensities of the helical fragments in prion protein under neutral and low pH conditions: a replica exchange molecular dynamics study

scientific article

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