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Photocatalytic Intramolecular [2 + 2] Cycloaddition of Indole Derivatives via Energy Transfer: A Method for Late-Stage Skeletal Transformation

ACS catalysis, 2020-09, Vol.10 (17), p.10149-10156

2020

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Computational Insights into Allosteric Conformational Modulation of P-Glycoprotein by Substrate and Inhibitor Binding

Molecules (Basel, Switzerland), 2020-12, Vol.25 (24), p.6006

2020

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Enhanced Turnover for the P450 119 Peroxygenase‐Catalyzed Asymmetric Epoxidation of Styrenes by Random Mutagenesis

Chemistry : a European journal, 2018-02, Vol.24 (11), p.2741-2749

2018

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Antitumor Effects of Trimethylellagic Acid Isolated From Sanguisorba officinalis L. on Colorectal Cancer via Angiogenesis Inhibition and Apoptosis Induction

Frontiers in pharmacology, 2020-01, Vol.10, p.1646-1646

2020

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In Silico Prediction of the Dissociation Rate Constants of Small Chemical Ligands by 3D-Grid-Based VolSurf Method

International journal of molecular sciences, 2020-04, Vol.21 (7), p.2456

2020

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De Novo Molecular Design of Caspase-6 Inhibitors by a GRU-Based Recurrent Neural Network Combined with a Transfer Learning Approach

Pharmaceuticals (Basel, Switzerland), 2021-11, Vol.14 (12), p.1249

2021

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Membrane-assisted tariquidar access and binding mechanisms of human ATP-binding cassette transporter P-glycoprotein

Frontiers in molecular biosciences, 2024, Vol.11, p.1364494-1364494

2024

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Enhancement of Activity and Thermostability of Keratinase From Pseudomonas aeruginosa CCTCC AB2013184 by Directed Evolution With Noncanonical Amino Acids

Frontiers in bioengineering and biotechnology, 2021-10, Vol.9, p.770907-770907

2021

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Subtle differences in chemical pattern between human toll‐like receptor 8 agonists and antagonists: Emerging chemical patterns analysis

Chemical biology & drug design, 2019-10, Vol.94 (4), p.1824-1834

2019

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A Charcot-Marie-Tooth-Causing Mutation in HSPB1 Decreases Cell Adaptation to Repeated Stress by Disrupting Autophagic Clearance of Misfolded Proteins

Cells (Basel, Switzerland), 2022-09, Vol.11 (18), p.2886

2022

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Development of Simple and Accurate in Silico Ligand-Based Models for Predicting ABCG2 Inhibition

Frontiers in chemistry, 2022-05, Vol.10, p.863146-863146

2022

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Conformational transitions of caspase-6 in substrate-induced activation process explored by perturbation-response scanning combined with targeted molecular dynamics

Computational and structural biotechnology journal, 2021-01, Vol.19, p.4156-4164

2021

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The VHSE-based prediction of proteasomal cleavage sites

PloS one, 2013-09, Vol.8 (9), p.e74506-e74506

2013

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An Energetically Favorable Ligand Entrance Gate of a Multidrug Transporter Revealed by Partial Nudged Elastic Band Simulations

Computational and structural biotechnology journal, 2019-01, Vol.17, p.319-323

2019

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An evaluation of combined strategies for improving the performance of molecular docking

Journal of bioinformatics and computational biology, 2021-04, Vol.19 (2), p.2150003

2021

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Constructing Interconsistent, Reasonable, and Predictive Models for Both the Kinetic and Thermodynamic Properties of HIV‑1 Protease Inhibitors

Journal of chemical information and modeling, 2016-10, Vol.56 (10), p.2061-2068

2016

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Enhancement of keratin-degradation ability of the keratinase KerBL from Bacillus licheniformis WHU by proximity-triggered chemical crosslinking

International journal of biological macromolecules, 2020-11, Vol.163, p.1458-1470

2020

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Peptide binding specificities of HLA-B5701 and B5801

Science China. Life sciences, 2012-09, Vol.55 (9), p.818-825

2012

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Studies on the Prediction of Selective Cleavage Sites and Cleavage Profile of Proteasome Using VHSE Amino Acid Descriptor

Hua hsüeh hsüeh pao, 2012-02, Vol.70 (3), p.318

2012

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Mechanism Prediction of Astragalus membranaceus against Cisplatin-Induced Kidney Damage by Network Pharmacology and Molecular Docking

Evidence-based complementary and alternative medicine, 2021, Vol.2021, p.9516726-15

2021

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A simple pan-specific RNN model for predicting HLA-II binding peptides

Molecular immunology, 2021-11, Vol.139, p.177-183

2021

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SMD-Based Interaction-Energy Fingerprints Can Predict Accurately the Dissociation Rate Constants of HIV‑1 Protease Inhibitors

Journal of chemical information and modeling, 2019-01, Vol.59 (1), p.159-169

2019

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NIR squaraine dyes for dual colorimetric and fluorescent determination of Fe, Cu, and Hg ions

RSC advances, 2023-06, Vol.13 (25), p.1722-17211

2023

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NIR squaraine dyes for dual colorimetric and fluorescent determination of Fe 3+ , Cu 2+ , and Hg 2+ ions

RSC advances, 2023-06, Vol.13 (25), p.17202-17211

2023

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Numerical investigation on the influence of axial thermal expansion in axial turbine for compressed air energy storage system

Journal of energy storage, 2024-04, Vol.84, Article 110595

2024

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Photocatalytic Intramolecular [2 + 2] Cycloaddition of Indole Derivatives via Energy Transfer: A Method for Late-Stage Skeletal Transformation

Computational Insights into Allosteric Conformational Modulation of P-Glycoprotein by Substrate and Inhibitor Binding

Enhanced Turnover for the P450 119 Peroxygenase‐Catalyzed Asymmetric Epoxidation of Styrenes by Random Mutagenesis

Antitumor Effects of Trimethylellagic Acid Isolated From Sanguisorba officinalis L. on Colorectal Cancer via Angiogenesis Inhibition and Apoptosis Induction

In Silico Prediction of the Dissociation Rate Constants of Small Chemical Ligands by 3D-Grid-Based VolSurf Method

De Novo Molecular Design of Caspase-6 Inhibitors by a GRU-Based Recurrent Neural Network Combined with a Transfer Learning Approach

Membrane-assisted tariquidar access and binding mechanisms of human ATP-binding cassette transporter P-glycoprotein

Enhancement of Activity and Thermostability of Keratinase From Pseudomonas aeruginosa CCTCC AB2013184 by Directed Evolution With Noncanonical Amino Acids

Subtle differences in chemical pattern between human toll‐like receptor 8 agonists and antagonists: Emerging chemical patterns analysis

A Charcot-Marie-Tooth-Causing Mutation in HSPB1 Decreases Cell Adaptation to Repeated Stress by Disrupting Autophagic Clearance of Misfolded Proteins

Development of Simple and Accurate in Silico Ligand-Based Models for Predicting ABCG2 Inhibition

Conformational transitions of caspase-6 in substrate-induced activation process explored by perturbation-response scanning combined with targeted molecular dynamics

The VHSE-based prediction of proteasomal cleavage sites

An Energetically Favorable Ligand Entrance Gate of a Multidrug Transporter Revealed by Partial Nudged Elastic Band Simulations

An evaluation of combined strategies for improving the performance of molecular docking

Constructing Interconsistent, Reasonable, and Predictive Models for Both the Kinetic and Thermodynamic Properties of HIV‑1 Protease Inhibitors

Enhancement of keratin-degradation ability of the keratinase KerBL from Bacillus licheniformis WHU by proximity-triggered chemical crosslinking

Peptide binding specificities of HLA-B5701 and B5801

Studies on the Prediction of Selective Cleavage Sites and Cleavage Profile of Proteasome Using VHSE Amino Acid Descriptor

Mechanism Prediction of Astragalus membranaceus against Cisplatin-Induced Kidney Damage by Network Pharmacology and Molecular Docking

A simple pan-specific RNN model for predicting HLA-II binding peptides

SMD-Based Interaction-Energy Fingerprints Can Predict Accurately the Dissociation Rate Constants of HIV‑1 Protease Inhibitors

NIR squaraine dyes for dual colorimetric and fluorescent determination of Fe, Cu, and Hg ions

NIR squaraine dyes for dual colorimetric and fluorescent determination of Fe 3+ , Cu 2+ , and Hg 2+ ions

Numerical investigation on the influence of axial thermal expansion in axial turbine for compressed air energy storage system

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