Lu Zhao

Jinan, 250100, China

Last Updated: 09/26/2026

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Found 24 publications

Stabilizing antiaromatic C13 through metal encapsulation: a dual stabilization mechanism achieving closed-shell noble-gas-like metal centers and double aromaticity.

Stabilizing antiaromatic C13 through metal encapsulation: a dual stabilization mechanism achieving closed-shell noble-gas-like metal centers and double aromaticity.

Journal: Physical chemistry chemical physics : PCCP

Published: June 16, 2026

Revealing conformational changes of GTP-bound NRAS mutants probed by GaMD and Markov state models.

Revealing conformational changes of GTP-bound NRAS mutants probed by GaMD and Markov state models.

Journal: Physical chemistry chemical physics : PCCP

Published: February 09, 2026

Molecular mechanism underlying conformations and region communications of periplasmic receptor affected by diversity of phosphate groups.

Molecular mechanism underlying conformations and region communications of periplasmic receptor affected by diversity of phosphate groups.

Journal: International journal of biological macromolecules

Published: February 05, 2026

Allosteric Binding-Mediated Suppression on Activity of G12D KRAS Recognized via Markov State Model and Communication Pathway.

Allosteric Binding-Mediated Suppression on Activity of G12D KRAS Recognized via Markov State Model and Communication Pathway.

Journal: The journal of physical chemistry. B

Published: January 29, 2026

Unveiling the gut: microbiota and derived metabolites' role in the rising tide of precocious puberty.

Unveiling the gut: microbiota and derived metabolites' role in the rising tide of precocious puberty.

Journal: Frontiers in microbiology

Published: December 12, 2025

Conformational Transition and Recognition Mechanism of Eukaryotic Riboswitches Powered by Thiamine Pyrophosphate Analogues: An Elucidation through Multiple Short Molecular Dynamics Simulations and Markov Model.

Conformational Transition and Recognition Mechanism of Eukaryotic Riboswitches Powered by Thiamine Pyrophosphate Analogues: An Elucidation through Multiple Short Molecular Dynamics Simulations and Markov Model.

Journal: The journal of physical chemistry. B

Published: September 25, 2025

Erratum: Gut microbiota-metabolite interactions meditate the effect of dietary patterns on precocious puberty.

Erratum: Gut microbiota-metabolite interactions meditate the effect of dietary patterns on precocious puberty.

Journal: iScience

Published: September 22, 2025

Ligand-mediated conformation diversity of Hsp90 revealed by GaMD simulations and Markov model.

Ligand-mediated conformation diversity of Hsp90 revealed by GaMD simulations and Markov model.

Journal: Molecular diversity

Published: May 28, 2025

Activity Regulation and Conformation Response of Janus Kinase 3 Mediated by Phosphorylation: Exploration from Correlation Network Analysis and Markov Model.

Activity Regulation and Conformation Response of Janus Kinase 3 Mediated by Phosphorylation: Exploration from Correlation Network Analysis and Markov Model.

Journal: Journal of chemical information and modeling

Published: April 08, 2025

Insights into phosphorylation-induced influences on conformations and inhibitor binding of CDK6 through GaMD trajectory-based deep learning.

Insights into phosphorylation-induced influences on conformations and inhibitor binding of CDK6 through GaMD trajectory-based deep learning.

Journal: Physical chemistry chemical physics : PCCP

Published: March 12, 2025

Conformations of KRAS4B Affected by Its Partner Binding and G12C Mutation: Insights from GaMD Trajectory-Image Transformation-Based Deep Learning.

Conformations of KRAS4B Affected by Its Partner Binding and G12C Mutation: Insights from GaMD Trajectory-Image Transformation-Based Deep Learning.

Journal: Journal of chemical information and modeling

Published: August 28, 2024

Unveiling Allosteric Regulation and Binding Mechanism of BRD9 through Molecular Dynamics Simulations and Markov Modeling.

Unveiling Allosteric Regulation and Binding Mechanism of BRD9 through Molecular Dynamics Simulations and Markov Modeling.

Journal: Molecules (Basel, Switzerland)

Published: June 25, 2024

Showing 1-12 of 24

Last Updated: 09/26/2026