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Binding Thermodynamics and Dissociation Kinetics Analysis Uncover the Key Structural Motifs of Phenoxyphenol Derivatives as the Direct InhA Inhibitors and the Hotspot Residues of InhA

International journal of molecular sciences, 2022-09, Vol.23 (17), p.10102

2022

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MolAICal: a soft tool for 3D drug design of protein targets by artificial intelligence and classical algorithm

Briefings in bioinformatics, 2021-05, Vol.22 (3)

2021

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Conformation Transition of Intracellular Part of Glucagon Receptor in Complex With Agonist Glucagon by Conventional and Accelerated Molecular Dynamics Simulations

Frontiers in chemistry, 2019-12, Vol.7, p.851-851

2019

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Identification of novel LRRK2 inhibitors by structure-based virtual screening and alchemical free energy calculation

Physical chemistry chemical physics : PCCP, 2024-07, Vol.26 (29), p.19775-19786

2024

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Virtual Screening and Biological Activity Evaluation of New Potent Inhibitors Targeting LRRK2 Kinase Domain

ACS chemical neuroscience, 2021-09, Vol.12 (17), p.3214-3224

2021

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Identification of LRRK2 Inhibitors through Computational Drug Repurposing

ACS chemical neuroscience, 2023-02, Vol.14 (3), p.481-493

2023

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Probing the Molecular Mechanism of Rifampin Resistance Caused by the Point Mutations S456L and D441V on Mycobacterium tuberculosis RNA Polymerase through Gaussian Accelerated Molecular Dynamics Simulation

Antimicrobial agents and chemotherapy, 2020-06, Vol.64 (7)

2020

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Molecular Modeling Study on the Interaction Mechanism between the LRRK2 G2019S Mutant and Type I Inhibitors by Integrating Molecular Dynamics Simulation, Binding Free Energy Calculations, and Pharmacophore Modeling

ACS chemical neuroscience, 2022-03, Vol.13 (5), p.599-612

2022

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Improving drug-target affinity prediction via feature fusion and knowledge distillation

Briefings in bioinformatics, 2023-05, Vol.24 (3)

2023

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Disclosing the Mechanism of Spontaneous Aggregation and Template-Induced Misfolding of the Key Hexapeptide (PHF6) of Tau Protein Based on Molecular Dynamics Simulation

ACS chemical neuroscience, 2019-12, Vol.10 (12), p.4810-4823

2019

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Unveiling the Selectivity Mechanism of Type‑I LRRK2 Inhibitors by Computational Methods: Insights from Binding Thermodynamics and Kinetics Simulation

ACS chemical neuroscience, 2023-09, Vol.14 (18), p.3472-3486

2023

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Development, validation, and evaluation of a deep learning model to screen cyclin-dependent kinase 12 inhibitors in cancers

European journal of medicinal chemistry, 2023-03, Vol.250, p.115199-115199, Article 115199

2023

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Discovery of potent LRRK2 inhibitors by ensemble virtual screening strategy and bioactivity evaluation

European journal of medicinal chemistry, 2024-12, Vol.279, p.116812, Article 116812

2024

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Fast and Controlled Ring-Opening Polymerization of Cyclic Esters by Alkoxides and Cyclic Amides

Macromolecules, 2018-03, Vol.51 (5), p.2048-2053

2018

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Lymph node dissection and recurrent laryngeal nerve protection in minimally invasive esophagectomy

Annals of the New York Academy of Sciences, 2020-12, Vol.1481 (1), p.20-29

2020

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Chemotherapy plus camrelizumab versus chemotherapy alone as neoadjuvant treatment for resectable esophageal squamous cell carcinoma (ESCORT-NEO): A multi-center, randomized phase III trial

Journal of clinical oncology, 2024-01, Vol.42 (3_suppl), p.LBA244-LBA244

2024

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AgBiS2@CQDs/Ti nanocomposite coatings for combating implant-associated infections by photodynamic /photothermal therapy

Biomaterials advances, 2024-04, Vol.158, p.213763-213763, Article 213763

2024

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AgBiS 2 @CQDs/Ti nanocomposite coatings for combating implant-associated infections by photodynamic /photothermal therapy

Biomaterials advances, 2024-01, Vol.158, p.213763

2024

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Minimally invasive versus open esophagectomy for resectable thoracic esophageal cancer (NST 1502): a multicenter prospective cohort study

Journal of the National Cancer Center, 2023-06, Vol.3 (2), p.106-114

2023

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Chinese expert consensus on mediastinal lymph node dissection in esophagectomy for esophageal cancer (2017 edition)

Journal of thoracic disease, 2018-04, Vol.10 (4), p.2481-2489

2018

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CACA guidelines for holistic integrative management of esophageal carcinoma

Holistic Integrative Oncology, 2023-09, Vol.2 (1), p.34, Article 34

2023

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Adjuvant radiotherapy, chemotherapy or surgery alone for high‐risk histological node negative esophageal squamous cell carcinoma: Protocol for a multicenter prospective randomized controlled trial

Thoracic cancer, 2018-12, Vol.9 (12), p.1801-1806

2018

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2021 NCC/CATS/CSTCVS/STM expert consensus on perioperative immunotherapy for esophageal cancer

Annals of Esophagus, 2021-09, Vol.4, p.33-33

2021

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Binding Thermodynamics and Dissociation Kinetics Analysis Uncover the Key Structural Motifs of Phenoxyphenol Derivatives as the Direct InhA Inhibitors and the Hotspot Residues of InhA

MolAICal: a soft tool for 3D drug design of protein targets by artificial intelligence and classical algorithm

Conformation Transition of Intracellular Part of Glucagon Receptor in Complex With Agonist Glucagon by Conventional and Accelerated Molecular Dynamics Simulations

Identification of novel LRRK2 inhibitors by structure-based virtual screening and alchemical free energy calculation

Virtual Screening and Biological Activity Evaluation of New Potent Inhibitors Targeting LRRK2 Kinase Domain

Identification of LRRK2 Inhibitors through Computational Drug Repurposing

Probing the Molecular Mechanism of Rifampin Resistance Caused by the Point Mutations S456L and D441V on Mycobacterium tuberculosis RNA Polymerase through Gaussian Accelerated Molecular Dynamics Simulation

Molecular Modeling Study on the Interaction Mechanism between the LRRK2 G2019S Mutant and Type I Inhibitors by Integrating Molecular Dynamics Simulation, Binding Free Energy Calculations, and Pharmacophore Modeling

Improving drug-target affinity prediction via feature fusion and knowledge distillation

Disclosing the Mechanism of Spontaneous Aggregation and Template-Induced Misfolding of the Key Hexapeptide (PHF6) of Tau Protein Based on Molecular Dynamics Simulation

Unveiling the Selectivity Mechanism of Type‑I LRRK2 Inhibitors by Computational Methods: Insights from Binding Thermodynamics and Kinetics Simulation

Development, validation, and evaluation of a deep learning model to screen cyclin-dependent kinase 12 inhibitors in cancers

Discovery of potent LRRK2 inhibitors by ensemble virtual screening strategy and bioactivity evaluation

Fast and Controlled Ring-Opening Polymerization of Cyclic Esters by Alkoxides and Cyclic Amides

Lymph node dissection and recurrent laryngeal nerve protection in minimally invasive esophagectomy

Chemotherapy plus camrelizumab versus chemotherapy alone as neoadjuvant treatment for resectable esophageal squamous cell carcinoma (ESCORT-NEO): A multi-center, randomized phase III trial

AgBiS2@CQDs/Ti nanocomposite coatings for combating implant-associated infections by photodynamic /photothermal therapy

AgBiS 2 @CQDs/Ti nanocomposite coatings for combating implant-associated infections by photodynamic /photothermal therapy

Neoadjuvant chemotherapy with or without camrelizumab in resectable esophageal squamous cell carcinoma: the randomized phase 3 ESCORT-NEO/NCCES01 trial

Minimally invasive versus open esophagectomy for resectable thoracic esophageal cancer (NST 1502): a multicenter prospective cohort study

Chinese expert consensus on mediastinal lymph node dissection in esophagectomy for esophageal cancer (2017 edition)

CACA guidelines for holistic integrative management of esophageal carcinoma

Adjuvant radiotherapy, chemotherapy or surgery alone for high‐risk histological node negative esophageal squamous cell carcinoma: Protocol for a multicenter prospective randomized controlled trial

2021 NCC/CATS/CSTCVS/STM expert consensus on perioperative immunotherapy for esophageal cancer

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