Yan Li

State Key Laboratory Of Molecular Reaction Dynamics
Dalian, 116023, China

Last Updated: 09/26/2026

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Found 20 publications

Investigating the molecular mechanism of selective inhibition of JAK1/TYK2 by SOCS1/SOCS3 using molecular dynamics simulations.

Investigating the molecular mechanism of selective inhibition of JAK1/TYK2 by SOCS1/SOCS3 using molecular dynamics simulations.

Journal: Physical chemistry chemical physics : PCCP
Published: April 28, 2026

Investigating the Impact of Base Pair Mismatches on Cas13d Cleavage Efficiency Using Molecular Dynamics Simulations.

Investigating the Impact of Base Pair Mismatches on Cas13d Cleavage Efficiency Using Molecular Dynamics Simulations.

Journal: The journal of physical chemistry. B
Published: October 18, 2025

Discovery of potent ATP citrate lyase inhibitors from Tripterygium wilfordii Hook. f.: a structural and bioactivity analysis.

Discovery of potent ATP citrate lyase inhibitors from Tripterygium wilfordii Hook. f.: a structural and bioactivity analysis.

Journal: Phytochemistry
Published: August 14, 2024

Insight of the molecular mechanism of inhibitors located at different allosteric sites regulating the activity of wild type and mutant KRAS (G12).

Insight of the molecular mechanism of inhibitors located at different allosteric sites regulating the activity of wild type and mutant KRAS (G12).

Journal: Archives of biochemistry and biophysics
Published: July 30, 2024

RNA Folding Based on 5 Beads Model and Multiscale Simulation.

RNA Folding Based on 5 Beads Model and Multiscale Simulation.

Journal: Interdisciplinary sciences, computational life sciences
Published: February 13, 2023

Synergistic effect of conformational changes in phosphoglycerate kinase 1 product release.

Synergistic effect of conformational changes in phosphoglycerate kinase 1 product release.

Journal: Journal of biomolecular structure & dynamics
Published: December 01, 2022

Ribonucleic Acid Folding Prediction Based on Iterative Multiscale Simulation.

Ribonucleic Acid Folding Prediction Based on Iterative Multiscale Simulation.

Journal: The journal of physical chemistry letters
Published: October 19, 2022

Uncariphyllin A-J, indole alkaloids from Uncaria rhynchophylla as antagonists of dopamine D2 and Mu opioid receptors.

Uncariphyllin A-J, indole alkaloids from Uncaria rhynchophylla as antagonists of dopamine D2 and Mu opioid receptors.

Journal: Bioorganic chemistry
Published: September 22, 2022

Heat-resistant Pb(ii)-based X-ray scintillating metal-organic frameworks for sensitive dosage detection via an aggregation-induced luminescent chromophore.

Heat-resistant Pb(ii)-based X-ray scintillating metal-organic frameworks for sensitive dosage detection via an aggregation-induced luminescent chromophore.

Journal: Dalton transactions (Cambridge, England : 2003)
Published: May 28, 2020

Large-Scale Biomolecular Conformational Transitions Explored by a Combined Elastic Network Model and Enhanced Sampling Molecular Dynamics.

Large-Scale Biomolecular Conformational Transitions Explored by a Combined Elastic Network Model and Enhanced Sampling Molecular Dynamics.

Journal: The journal of physical chemistry letters
Published: December 24, 2019

Perfluorinated Covalent Triazine Framework Derived Hybrids for the Highly Selective Electroconversion of Carbon Dioxide into Methane.

Perfluorinated Covalent Triazine Framework Derived Hybrids for the Highly Selective Electroconversion of Carbon Dioxide into Methane.

Journal: Angewandte Chemie (International ed. in English)
Published: June 21, 2018

Three-Dimensional Network Architecture with Hybrid Nanocarbon Composites Supporting Few-Layer MoS2 for Lithium and Sodium Storage.

Three-Dimensional Network Architecture with Hybrid Nanocarbon Composites Supporting Few-Layer MoS2 for Lithium and Sodium Storage.

Journal: ACS nano
Published: February 13, 2018
Showing 1-12 of 20

Last Updated: 09/26/2026