Yongna Yuan

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 9

Top Topics

Molecular Dynamics Simulations

Machine Learning

Cerebrospinal Fluid

Top Venues

Journal of chemical theory and computation

Journal of molecular modeling

Journal of chemical information and modeling

The journal of physical chemistry. B

This page only lists publications with an associated author ORCID identifier.

Publications

Yongna Yuan, Xuqi Mao, Xiaohang Pan, Ruisheng Zhang, Wei Su
Kinetic Ensemble of Tau Protein through the Markov State Model and Deep Learning Analysis. Journal of chemical theory and computation 20 (7) (2024)
Yongna Yuan, Xuqi Mao, Xiaohang Pan, Ruisheng Zhang, Wei Su
Kinetic Ensemble of Tau Protein through the Markov State Model and Deep Learning Analysis. Journal of chemical theory and computation 20 (7) (2024)
Yongna Yuan, Xuqi Mao, Xiaohang Pan, Ruisheng Zhang, Wei Su
Kinetic Ensemble of Tau Protein through the Markov State Model and Deep Learning Analysis. Journal of chemical theory and computation (2024)
Yongna Yuan, Haoqiu Yan, Zeyang Cui, Zhenyu Liu, Wei Su, Ruisheng Zhang
Quantum Chemical Calculations with Machine Learning for Multipolar Electrostatics Prediction in RNA: An Application to Pentose. Journal of chemical information and modeling 62 (17) (2022)
Yongna Yuan, Shaowei Fu, Dongxu Huo, Wei Su, Ruisheng Zhang, Jiaxuan Wei
Multipolar electrostatics for hairpin and pseudoknots in RNA: Improving the accuracy of force field potential energy function. Journal of computational chemistry 42 (11) (2021)
Yongna Yuan, Matthew J L Mills, Zhuangzhuang Zhang, Yan Ma, Chunyan Zhao, Wei Su
A general RNA force field: comprehensive analysis of energy minima of molecular fragments of RNA. Journal of molecular modeling 27 (5) (2021)
Yongna Yuan, Yan Ma, Dongxu Huo, Matthew J L Mills, Jiaxuan Wei, Wei Su, Ruisheng Zhang
Multipolar Description of Atom-Atom Electrostatic Interaction Energies in Single/Double-Stranded DNAs. The journal of physical chemistry. B 124 (45) (2020)
Yongna Yuan, Matthew J L Mills, Fuyang Li, Yuhong Du, Jiaxuan Wei, Wei Su
Halogen bonds and other noncovalent interactions in the crystal structures of trans-1,2-diiodo alkenes: an ab initio and QTAIM study. Journal of molecular modeling 26 (11) (2020)
Yongna Yuan, Zhuangzhuang Zhang, Matthew J L Mills, Rongjing Hu, Ruisheng Zhang
Assessing Force Field Potential Energy Function Accuracy via a Multipolar Description of Atomic Electrostatic Interactions in RNA. Journal of chemical information and modeling 58 (11) (2018)