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Identification of Mtb GlmU Uridyltransferase Domain Inhibitors by Ligand-Based and Structure-Based Drug Design Approaches

Molecules (Basel, Switzerland), 2022-04, Vol.27 (9), p.2805

2022

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Ligand Binding Mode Prediction by Docking: Mdm2/Mdmx Inhibitors as a Case Study

Journal of chemical information and modeling, 2014-02, Vol.54 (2), p.648-659

2014

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Determinants, discriminants, conserved residues--a heuristic approach to detection of functional divergence in protein families

PloS one, 2011-09, Vol.6 (9), p.e24382-e24382

2011

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Metabolic Activation of CaMKII by Coenzyme A

Molecular cell, 2013-11, Vol.52 (3), p.325-339

2013

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Cube-DB: detection of functional divergence in human protein families

Nucleic acids research, 2012-01, Vol.40 (Database issue), p.D490

2012

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Pharmacophore modeling for protein tyrosine phosphatase 1B inhibitors

Archives of Pharmacal Research, 2007, 30(5), , pp.533-542

2007

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P56 LCK Inhibitor Identification by Pharmacophore Modelling and Molecular Docking

Bulletin of the Korean Chemical Society, 2007, 28(2), , pp.200-206

2007

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Discovery of Small Molecules that Inhibit the Disordered Protein, p27Kip1

Scientific reports, 2015-10, Vol.5 (1), p.15686, Article 15686

2015

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Adenosine Kinase Inhibitor Design Based on Pharmacophore Modeling

Bulletin of the Korean Chemical Society, 2007, 28(4), , pp.561-566

2007

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Quantitative Structure-Activity Relationships and Molecular Docking Studies of P56 LCK Inhibitors

Bulletin of the Korean Chemical Society, 2006, 27(2), , pp.266-272

2006

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Binding mode analyses and pharmacophore model development for sulfonamide chalcone derivatives, a new class of α-glucosidase inhibitors

Journal of molecular graphics & modelling, 2008-06, Vol.26 (8), p.1202-1212

2008

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Molecular Docking Study of Aminoacyl-tRNA Synthetases with Ligand Molecules from Four Different Scaffolds

Bulletin of the Korean Chemical Society, 2010, 31(3), , pp.606-610

2010

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Target identification for small-molecule discovery in the FOXO3a tumor-suppressor pathway using a biodiverse peptide library

Cell chemical biology, 2021-11, Vol.28 (11), p.1602-1615.e9

2021

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Structure of a 14-3-3ε:FOXO3a pS253 Phosphopeptide Complex Reveals 14-3-3 Isoform-Specific Binding of Forkhead Box Class O Transcription Factor (FOXO) Phosphoproteins

ACS omega, 2022-07, Vol.7 (28), p.24344-24352

2022

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Active Site Coupling in PDE:PKA Complexes Promotes Resetting of Mammalian cAMP Signaling

Biophysical journal, 2014-09, Vol.107 (6), p.1426-1440

2014

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Targeting Phosphopeptide Recognition by the Human BRCA1 Tandem BRCT Domain to Interrupt BRCA1-Dependent Signaling

Cell chemical biology, 2018-06, Vol.25 (6), p.677-690.e12

2018

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Molecular dynamics simulation study of PTP1B with allosteric inhibitor and its application in receptor based pharmacophore modeling

Journal of computer-aided molecular design, 2008-12, Vol.22 (12), p.925-933

2008

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Pharmacophore identification and virtual screening for methionyl-tRNA synthetase inhibitors

Journal of molecular graphics & modelling, 2007-03, Vol.25 (6), p.813-823

2007

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Structure of a 14-3-3ε:FOXO3apS253 Phosphopeptide Complex Reveals 14-3‑3 Isoform-Specific Binding of Forkhead Box Class O Transcription Factor (FOXO) Phosphoproteins

ACS omega, 2022-07, Vol.7 (28), p.24344-24352

2022

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Discovery of Small Molecules that Inhibit the Disordered Protein, p27Kip1

Scientific reports, 2015-10, Vol.5 (5)

2015

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Structure‐Guided Synthesis and Evaluation of Small‐Molecule Inhibitors Targeting Protein–Protein Interactions of BRCA1 tBRCT Domain

ChemMedChem, 2019-09, Vol.14 (18), p.1620-1632

2019

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deconSTRUCT: general purpose protein database search on the substructure level

Nucleic acids research, 2010-07, Vol.38 (Web Server issue), p.W590

2010

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Molecular dynamics simulation study of valyl-tRNA synthetase with its pre- and post-transfer editing substrates

Biophysical chemistry, 2009-07, Vol.143 (1), p.34-43

2009

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Metabolic regulation of apoptosis via coenzyme A mediated activation of CaMKII (577.2)

The FASEB journal, 2014-04, Vol.28 (S1), p.n/a

2014

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Metabolic Activation of CaMKII by Coenzyme A

Molecular cell, 2013-11, Vol.52 (3), p.468

2013

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Identification of Mtb GlmU Uridyltransferase Domain Inhibitors by Ligand-Based and Structure-Based Drug Design Approaches

Ligand Binding Mode Prediction by Docking: Mdm2/Mdmx Inhibitors as a Case Study

Determinants, discriminants, conserved residues--a heuristic approach to detection of functional divergence in protein families

Metabolic Activation of CaMKII by Coenzyme A

Cube-DB: detection of functional divergence in human protein families

Pharmacophore modeling for protein tyrosine phosphatase 1B inhibitors

P56 LCK Inhibitor Identification by Pharmacophore Modelling and Molecular Docking

Discovery of Small Molecules that Inhibit the Disordered Protein, p27Kip1

Adenosine Kinase Inhibitor Design Based on Pharmacophore Modeling

Quantitative Structure-Activity Relationships and Molecular Docking Studies of P56 LCK Inhibitors

Binding mode analyses and pharmacophore model development for sulfonamide chalcone derivatives, a new class of α-glucosidase inhibitors

Molecular Docking Study of Aminoacyl-tRNA Synthetases with Ligand Molecules from Four Different Scaffolds

Target identification for small-molecule discovery in the FOXO3a tumor-suppressor pathway using a biodiverse peptide library

Structure of a 14-3-3ε:FOXO3a pS253 Phosphopeptide Complex Reveals 14-3-3 Isoform-Specific Binding of Forkhead Box Class O Transcription Factor (FOXO) Phosphoproteins

Active Site Coupling in PDE:PKA Complexes Promotes Resetting of Mammalian cAMP Signaling

Targeting Phosphopeptide Recognition by the Human BRCA1 Tandem BRCT Domain to Interrupt BRCA1-Dependent Signaling

Molecular dynamics simulation study of PTP1B with allosteric inhibitor and its application in receptor based pharmacophore modeling

Pharmacophore identification and virtual screening for methionyl-tRNA synthetase inhibitors

Structure of a 14-3-3ε:FOXO3apS253 Phosphopeptide Complex Reveals 14-3‑3 Isoform-Specific Binding of Forkhead Box Class O Transcription Factor (FOXO) Phosphoproteins

Discovery of Small Molecules that Inhibit the Disordered Protein, p27Kip1

Structure‐Guided Synthesis and Evaluation of Small‐Molecule Inhibitors Targeting Protein–Protein Interactions of BRCA1 tBRCT Domain

deconSTRUCT: general purpose protein database search on the substructure level

Molecular dynamics simulation study of valyl-tRNA synthetase with its pre- and post-transfer editing substrates

Metabolic regulation of apoptosis via coenzyme A mediated activation of CaMKII (577.2)

Metabolic Activation of CaMKII by Coenzyme A

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