Lian Duan

University of Tsukuba

Japan

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Articles (10)

Year:

2025

Year:

2025

Year:

2025

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2025

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2025

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2024

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2024

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2024

Year:

2023

Year:

2022

Collaborators (6)

Kowit Hengphasatporn

Assistant Professor

University of Tsukuba

JAPAN

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Y. Shigeta

JAPAN

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Hideaki Ogata

Professor

University of Hyogo

JAPAN

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Tsuyoshi Mashima

Nara Institute of Science and Technology

JAPAN

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Shun Hirota

Professor

Nara Institute of Science and Technology（NAIST）

JAPAN

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Norio Yoshida

Professor

Nagoya University

JAPAN

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Lian Duan

Research Interests

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Articles (10)

PaCS-Q: Python Toolkits for Path Sampling in MD and QM/MM MD Simulation

Rationally designed antimicrobial peptides with high selectivity and efficiency against phytopathogenic Ralstonia solanecearum

Reaction Mechanism Path Sampling Based on Parallel Cascade Selection QM/MM Molecular Dynamics Simulation: PaCS-Q

Unveiling the antiviral inhibitory activity of ebselen and ebsulfur derivatives on SARS-CoV-2 using machine learning-based QSAR, LB-PaCS-MD, and experimental assay

Apoprotein Intermolecular Interactions and Heme Insertion for 3D Domain Swapping in Myoglobin

Why is Dimeric 3D Domain Swapping in Antibody Light Chains Missing from the Solution? Atomistic Insights Mechanisms

Machine learning-based QSAR and LB-PaCS-MD guided design of SARS-CoV-2 main protease inhibitors

Experimental and Computational Studies on Domain-Swapped Structure Stabilization of an Antibody Light Chain by Disulfide Bond Introduction

Structural and thermodynamic insights into antibody light chain tetramer formation through 3D domain swapping

Evaluation of an Appropriate Standard Hydrogen Electrode Potential for Computing Redox Potentials of Catechins with Density Functional Theory

Collaborators (6)

Kowit Hengphasatporn

Y. Shigeta

Hideaki Ogata

Tsuyoshi Mashima

Shun Hirota

Norio Yoshida

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