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Resveratrol induces autophagy by directly inhibiting mTOR through ATP competition

Scientific reports, 2016-02, Vol.6 (1), p.21772-21772, Article 21772

2016

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Structure-Based Virtual Screening and De Novo Design to Identify Submicromolar Inhibitors of G2019S Mutant of Leucine-Rich Repeat Kinase 2

International journal of molecular sciences, 2022-11, Vol.23 (21), p.12825

2022

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Structure-Based De Novo Design for the Discovery of Miniprotein Inhibitors Targeting Oncogenic Mutant BRAF

International journal of molecular sciences, 2024-05, Vol.25 (10), p.5535

2024

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Derivation of Highly Predictive 3D-QSAR Models for hERG Channel Blockers Based on the Quantum Artificial Neural Network Algorithm

Pharmaceuticals (Basel, Switzerland), 2023-10, Vol.16 (11), p.1509

2023

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Development of A4 antibody for detection of neuraminidase I223R/H275Y-associated antiviral multidrug-resistant influenza virus

Nature communications, 2020-07, Vol.11 (1), p.3418-11, Article 3418

2020

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Computational prediction of octanol–water partition coefficient based on the extended solvent-contact model

Journal of molecular graphics & modelling, 2015-07, Vol.60, p.108-117

2015

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Structural basis for recognition of the tumor suppressor protein PTPN14 by the oncoprotein E7 of human papillomavirus

PLoS biology, 2019-07, Vol.17 (7), p.e3000367

2019

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Quantum Artificial Neural Network Approach to Derive a Highly Predictive 3D-QSAR Model for Blood-Brain Barrier Passage

International journal of molecular sciences, 2021-10, Vol.22 (20), p.10995

2021

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Structure-Based Virtual Screening and De Novo Design of PIM1 Inhibitors with Anticancer Activity from Natural Products

Pharmaceuticals (Basel, Switzerland), 2021-03, Vol.14 (3), p.275

2021

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Rational Computational Design of Fourth-Generation EGFR Inhibitors to Combat Drug-Resistant Non-Small Cell Lung Cancer

International journal of molecular sciences, 2020-12, Vol.21 (23), p.9323

2020

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Binding Mechanism and Synergetic Effects of Xanthone Derivatives as Noncompetitive α‑Glucosidase Inhibitors: A Theoretical and Experimental Study

The journal of physical chemistry. B, 2013-10, Vol.117 (43), p.13464-13471

2013

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Graphite as a Long‐Life Ca2+‐Intercalation Anode and its Implementation for Rocking‐Chair Type Calcium‐Ion Batteries

Advanced science, 2019-12, Vol.6 (24), p.1902129-n/a

2019

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Machine Learning-Assisted Computational Screening of Adhesive Molecules Derived from Dihydroxyphenyl Alanine

ACS omega, 2024-01, Vol.9 (1), p.994-1000

2024

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Anticancer activity of a novel small molecule tubulin inhibitor STK899704

PloS one, 2017-03, Vol.12 (3), p.e0173311

2017

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New solvation free energy function comprising intermolecular solvation and intramolecular self-solvation terms

Journal of cheminformatics, 2013-02, Vol.5 (1), p.8-8, Article 8

2013

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Virtual screening and biochemical evaluation to identify new inhibitors of mammalian target of rapamycin (mTOR)

Bioorganic & medicinal chemistry letters, 2014-02, Vol.24 (3), p.835-838

2014

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Virtual Screening with Docking Simulations and Biochemical Evaluation of VHY Phosphatase Inhibitors

Chemical and Pharmaceutical Bulletin, 2015/10/01, Vol.63(10), pp.807-811

2015

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Nocodazole is a High-Affinity Ligand for the Cancer-Related Kinases ABL, c-KIT, BRAF, and MEK

ChemMedChem, 2012-01, Vol.7 (1), p.53-56

2012

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Structural and Dynamical Basis of Broad Substrate Specificity, Catalytic Mechanism, and Inhibition of Cytochrome P450 3A4

Journal of the American Chemical Society, 2005-10, Vol.127 (39), p.13634-13642

2005

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Two-track virtual screening approach to identify both competitive and allosteric inhibitors of human small C-terminal domain phosphatase 1

Journal of computer-aided molecular design, 2017-08, Vol.31 (8), p.743-753

2017

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Extended solvent-contact model approach to SAMPL4 blind prediction challenge for hydration free energies

Journal of computer-aided molecular design, 2014-03, Vol.28 (3), p.175-186

Park, Hwangseo

2014

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Virtual Screening with Docking Simulations and Biochemical Evaluation of VHY Phosphatase Inhibitors

Chemical and Pharmaceutical Bulletin, 2015-10, Vol.63 (10), p.807-811

2015

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MetLigDB: a web-based database for the identification of chemical groups to design metalloprotein inhibitors

Journal of applied crystallography, 2011-08, Vol.44 (4), p.878-881

2011

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Molecular Characterization of Two Monoclonal Antibodies against the Same Epitope on B-Cell Receptor Associated Protein 31

PloS one, 2016-12, Vol.11 (12), p.e0167527-e0167527

2016

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New angle-dependent potential energy function for backbone-backbone hydrogen bond in protein-protein interactions

Journal of computational chemistry, 2010-04, Vol.31 (5), p.897-903

2010

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Resveratrol induces autophagy by directly inhibiting mTOR through ATP competition

Structure-Based Virtual Screening and De Novo Design to Identify Submicromolar Inhibitors of G2019S Mutant of Leucine-Rich Repeat Kinase 2

Structure-Based De Novo Design for the Discovery of Miniprotein Inhibitors Targeting Oncogenic Mutant BRAF

Derivation of Highly Predictive 3D-QSAR Models for hERG Channel Blockers Based on the Quantum Artificial Neural Network Algorithm

Development of A4 antibody for detection of neuraminidase I223R/H275Y-associated antiviral multidrug-resistant influenza virus

Computational prediction of octanol–water partition coefficient based on the extended solvent-contact model

Structural basis for recognition of the tumor suppressor protein PTPN14 by the oncoprotein E7 of human papillomavirus

Quantum Artificial Neural Network Approach to Derive a Highly Predictive 3D-QSAR Model for Blood-Brain Barrier Passage

Structure-Based Virtual Screening and De Novo Design of PIM1 Inhibitors with Anticancer Activity from Natural Products

Rational Computational Design of Fourth-Generation EGFR Inhibitors to Combat Drug-Resistant Non-Small Cell Lung Cancer

Binding Mechanism and Synergetic Effects of Xanthone Derivatives as Noncompetitive α‑Glucosidase Inhibitors: A Theoretical and Experimental Study

Graphite as a Long‐Life Ca2+‐Intercalation Anode and its Implementation for Rocking‐Chair Type Calcium‐Ion Batteries

Machine Learning-Assisted Computational Screening of Adhesive Molecules Derived from Dihydroxyphenyl Alanine

Anticancer activity of a novel small molecule tubulin inhibitor STK899704

New solvation free energy function comprising intermolecular solvation and intramolecular self-solvation terms

Virtual screening and biochemical evaluation to identify new inhibitors of mammalian target of rapamycin (mTOR)

Virtual Screening with Docking Simulations and Biochemical Evaluation of VHY Phosphatase Inhibitors

Nocodazole is a High-Affinity Ligand for the Cancer-Related Kinases ABL, c-KIT, BRAF, and MEK

Structural and Dynamical Basis of Broad Substrate Specificity, Catalytic Mechanism, and Inhibition of Cytochrome P450 3A4

Two-track virtual screening approach to identify both competitive and allosteric inhibitors of human small C-terminal domain phosphatase 1

Extended solvent-contact model approach to SAMPL4 blind prediction challenge for hydration free energies

Virtual Screening with Docking Simulations and Biochemical Evaluation of VHY Phosphatase Inhibitors

MetLigDB: a web-based database for the identification of chemical groups to design metalloprotein inhibitors

Molecular Characterization of Two Monoclonal Antibodies against the Same Epitope on B-Cell Receptor Associated Protein 31

New angle-dependent potential energy function for backbone-backbone hydrogen bond in protein-protein interactions

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