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Structure and function relationship of OqxB efflux pump from Klebsiella pneumoniae

Nature communications, 2021-09, Vol.12 (1), p.5400-5400, Article 5400

2021

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Role of Cel5H protein surface amino acids in binding with clay minerals and measurements of its forces

한국현미경학회지, 2021, 51(4), , pp.1-10

2021

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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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Delineating Substrate Diversity of Disparate Short-Chain Dehydrogenase Reductase from Debaryomyces hansenii

PloS one, 2017-01, Vol.12 (1), p.e0170202-e0170202

2017

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Monitoring Ligand-Induced Protein Ordering in Drug Discovery

Journal of molecular biology, 2016-03, Vol.428 (6), p.1290-1303

2016

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Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors

Bioorganic & medicinal chemistry, 2018-01, Vol.26 (1), p.25-36

2018

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A strategy to identify a ketoreductase that preferentially synthesizes pharmaceutically relevant (S)-alcohols using whole-cell biotransformation

Microbial cell factories, 2018-12, Vol.17 (1), p.192-192, Article 192

2018

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Correction: Suprafenacine, an Indazole-Hydrazide Agent, Targets Cancer Cells Through Microtubule Destabilization

PloS one, 2018-07, Vol.13 (7), p.e0201149-e0201149

2018

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Nitrothiophene carboxamides, a novel narrow spectrum antibacterial series: Mechanism of action and Efficacy

Scientific reports, 2018-05, Vol.8 (1), p.7263-18, Article 7263

2018

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Analysis of the Active-Site Mechanism of Tyrosyl-DNA Phosphodiesterase I: A Member of the Phospholipase D Superfamily

Journal of molecular biology, 2012-01, Vol.415 (4), p.741-758

2012

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Suprafenacine, an indazole-hydrazide agent, targets cancer cells through microtubule destabilization

PloS one, 2014-10, Vol.9 (10), p.e110955-e110955

2014

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The natively disordered loop of Bcl-2 undergoes phosphorylation-dependent conformational change and interacts with Pin1

PloS one, 2012-12, Vol.7 (12), p.e52047-e52047

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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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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Mechanistic insights into non-immunosuppressive immunophilin ligands as potential antimalarial therapeutics

Malaria journal, 2010-10, Vol.9 (S2), p.P60-P60, Article P60

2010

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Molecular basis of Bcl-X(L)-p53 interaction: insights from molecular dynamics simulations

PloS one, 2011, Vol.6 (10), p.e26014-e26014

2011

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PtdIns(3)P-bound UVRAG coordinates Golgi-ER retrograde and Atg9 transport by differential interactions with the ER tether and the beclin 1 complex

Nature cell biology, 2013-10, Vol.15 (10), p.1206

2013

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Bromodomain-Selective BET Inhibitors Are Potent Antitumor Agents against MYC-Driven Pediatric Cancer

Cancer research (Chicago, Ill.), 2020-09, Vol.80 (17), p.3507-3518

2020

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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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Molecular Basis of Bcl-XL-p53 Interaction: Insights from Molecular Dynamics Simulations

PloS one, 2011-10, Vol.6 (10), p.e26014

2011

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The role of ZA channel water-mediated interactions in the design of bromodomain-selective BET inhibitors

Journal of molecular graphics & modelling, 2018-05, Vol.81, p.197-210

2018

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Performance of a docking/molecular dynamics protocol for virtual screening of nutlin-class inhibitors of Mdmx

Journal of molecular graphics & modelling, 2017-06, Vol.74, p.54-60

2017

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Structure and function relationship of OqxB efflux pump from Klebsiella pneumoniae

Role of Cel5H protein surface amino acids in binding with clay minerals and measurements of its forces

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

Delineating Substrate Diversity of Disparate Short-Chain Dehydrogenase Reductase from Debaryomyces hansenii

Monitoring Ligand-Induced Protein Ordering in Drug Discovery

Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors

A strategy to identify a ketoreductase that preferentially synthesizes pharmaceutically relevant (S)-alcohols using whole-cell biotransformation

Correction: Suprafenacine, an Indazole-Hydrazide Agent, Targets Cancer Cells Through Microtubule Destabilization

Nitrothiophene carboxamides, a novel narrow spectrum antibacterial series: Mechanism of action and Efficacy

Analysis of the Active-Site Mechanism of Tyrosyl-DNA Phosphodiesterase I: A Member of the Phospholipase D Superfamily

Suprafenacine, an indazole-hydrazide agent, targets cancer cells through microtubule destabilization

The natively disordered loop of Bcl-2 undergoes phosphorylation-dependent conformational change and interacts with Pin1

Pharmacophore modeling for protein tyrosine phosphatase 1B inhibitors

P56 LCK Inhibitor Identification by Pharmacophore Modelling and Molecular Docking

Adenosine Kinase Inhibitor Design Based on Pharmacophore Modeling

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

Mechanistic insights into non-immunosuppressive immunophilin ligands as potential antimalarial therapeutics

Molecular basis of Bcl-X(L)-p53 interaction: insights from molecular dynamics simulations

PtdIns(3)P-bound UVRAG coordinates Golgi-ER retrograde and Atg9 transport by differential interactions with the ER tether and the beclin 1 complex

Bromodomain-Selective BET Inhibitors Are Potent Antitumor Agents against MYC-Driven Pediatric Cancer

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

Molecular Basis of Bcl-XL-p53 Interaction: Insights from Molecular Dynamics Simulations

The role of ZA channel water-mediated interactions in the design of bromodomain-selective BET inhibitors

Performance of a docking/molecular dynamics protocol for virtual screening of nutlin-class inhibitors of Mdmx

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