Hwangseo Park

发表

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

Hwangseo Park, Hwangseo Park, 2014, Journal of Computer-Aided Molecular Design.

Critical assessment of the automated AutoDock as a new docking tool for virtual screening

Hwangseo Park, Jinuk Lee, Sangyoub Lee, 2006, Proteins.

Prediction of Molecular Solvation Free Energy Based on the Optimization of Atomic Solvation Parameters with Genetic Algorithm

Hwanho Choi, Hwangseo Park, Hongsuk Kang, 2007, J. Chem. Inf. Model..

Accuracy enhancement in the estimation of molecular hydration free energies by implementing the intramolecular hydrogen bond effects

Hwangseo Park, Kee-Choo Chung, Hwangseo Park, 2015, Journal of Cheminformatics.

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

Hwanho Choi, Hwangseo Park, Hongsuk Kang, 2013, Journal of Cheminformatics.

Discovery of Low Micromolar Dual Inhibitors for Wild Type and L1196M Mutant of Anaplastic Lymphoma Kinase through Structure-Based Virtual Screening

Sungwoo Hong, Hwangseo Park, Saemina Shin, 2016, J. Chem. Inf. Model..

Systematic Computational Design and Identification of Low Picomolar Inhibitors of Aurora Kinase A

Sungwoo Hong, Hwangseo Park, Shinmee Mah, 2018, J. Chem. Inf. Model..

Identification of Novel Inhibitors of Tropomyosin-Related Kinase A through the Structure-Based Virtual Screening with Homology-Modeled Protein Structure

Sungwoo Hong, Hwangseo Park, Jinhee Kim, 2011, J. Chem. Inf. Model..

Extended solvent-contact model approach to blind SAMPL5 prediction challenge for the distribution coefficients of drug-like molecules

Hwangseo Park, Kee-Choo Chung, Hwangseo Park, 2016, Journal of Computer-Aided Molecular Design.

Free energy perturbation approach to the critical assessment of selective cyclooxygenase-2 inhibitors

Hwangseo Park, Sangyoub Lee, Sangyoub Lee, 2005, J. Comput. Aided Mol. Des..

NPCARE: database of natural products and fractional extracts for cancer regulation

Youngsoo Kim, Hwanho Choi, Hwangseo Park, 2017, Journal of Cheminformatics.

Development and application of a comprehensive machine learning program for predicting molecular biochemical and pharmacological properties.

Hwanho Choi, Hwangseo Park, Kee-Choo Chung, 2019, Physical chemistry chemical physics : PCCP.

Consensus Scoring Approach To Identify the Inhibitors of AMP-Activated Protein Kinase α2 with Virtual Screening

Hwangseo Park, Yang-Hee Kim, Jae-Won Eom, 2014, J. Chem. Inf. Model..

Identification of novel inhibitors of mitogen-activated protein kinase phosphatase-1 with structure-based virtual screening

Hwangseo Park, Seong Eon Ryu, Song Yi Kim, 2011, J. Comput. Aided Mol. Des..

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

Hwangseo Park, Hye Seon Lee, Sang-Rae Lee, 2017, Journal of Computer-Aided Molecular Design.

Identification of common inhibitors of wild-type and T315I mutant of BCR-ABL through the parallel structure-based virtual screening

Sungwoo Hong, Hwangseo Park, Seunghee Hong, 2012, Journal of Computer-Aided Molecular Design.

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

Hwanho Choi, Hwangseo Park, Hongsuk Kang, 2010, J. Comput. Chem..

Toward the Virtual Screening of α-Glucosidase Inhibitors with the Homology-Modeled Protein Structure

Hwangseo Park, Sungmin Ko, Jung-Hum Park, 2008 .

Homology modeling, force field design, and free energy simulation studies to optimize the activities of histone deacetylase inhibitors

Hwangseo Park, Sangyoub Lee, Sangyoub Lee, 2004, J. Comput. Aided Mol. Des..

Discovery of the inhibitors of tumor necrosis factor alpha with structure-based virtual screening.

Hwanho Choi, Hwangseo Park, Youngseop Lee, 2010, Bioorganic & medicinal chemistry letters.

Discovery of picomolar ABL kinase inhibitors equipotent for wild type and T315I mutant via structure-based de novo design.

Sungwoo Hong, Hwangseo Park, Seunghee Hong, 2013, Journal of the American Chemical Society.

Structural and dynamical basis of broad substrate specificity, catalytic mechanism, and inhibition of cytochrome P450 3A4.

Hwangseo Park, Sangyoub Lee, Junghun Suh, 2005, Journal of the American Chemical Society.

Discovery of novel alpha-glucosidase inhibitors based on the virtual screening with the homology-modeled protein structure.

Hwangseo Park, Young Hoon Kim, Jae Yeon Lee, 2008, Bioorganic & medicinal chemistry.

Determination of the active site protonation state of beta-secretase from molecular dynamics simulation and docking experiment: implications for structure-based inhibitor design.

Hwangseo Park, Sangyoub Lee, 2003, Journal of the American Chemical Society.

Identification of novel PTPRQ phosphatase inhibitors based on the virtual screening with docking simulations

Hwangseo Park, Seung Jun Kim, Hwangseo Park, 2013, Theoretical Biology and Medical Modelling.

Identification of novel inhibitors of extracellular signal-regulated kinase 2 based on the structure-based virtual screening.

Hwangseo Park, Seong Eon Ryu, Dae Gwin Jeong, 2008, Bioorganic & medicinal chemistry letters.

Extended Morse function model for angle-dependent hydrogen bond in protein-protein interactions.

Hwanho Choi, Hwangseo Park, Hongsuk Kang, 2010, The journal of physical chemistry. B.

Discovery of novel PRL-3 inhibitors based on the structure-based virtual screening.

Hwangseo Park, Seong Eon Ryu, Dae Gwin Jeong, 2008, Bioorganic & medicinal chemistry letters.

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

Hwanho Choi, Hwangseo Park, Hongsuk Kang, 2011 .

Discovery of Novel DUSP16 Phosphatase Inhibitors through Virtual Screening with Homology Modeled Protein Structure

Hwangseo Park, Seong Eon Ryu, S. Ryu, 2014, Journal of biomolecular screening.

Hybrid QM/MM and DFT investigations of the catalytic mechanism and inhibition of the dinuclear zinc metallo-beta-lactamase CcrA from Bacteroides fragilis.

Hwangseo Park, Kenneth M Merz, Edward N Brothers, 2005, Journal of the American Chemical Society.

Structure-based de novo design and biochemical evaluation of novel Cdc25 phosphatase inhibitors.

Hwangseo Park, Seong Eon Ryu, S. Ryu, 2009, Bioorganic & medicinal chemistry letters.

Structure-based de novo design and biochemical evaluation of novel BRAF kinase inhibitors.

Sungwoo Hong, Hwangseo Park, Hwangseo Park, 2012, Bioorganic & medicinal chemistry letters.

Peptide-cleaving catalyst selective for peptide deformylase.

Hwangseo Park, Sangyoub Lee, Junghun Suh, 2005, Journal of the American Chemical Society.

Loop Flexibility and Solvent Dynamics as Determinants for the Selective Inhibition of Cyclin‐Dependent Kinase 4: Comparative Molecular Dynamics Simulation Studies of CDK2 and CDK4

Hwangseo Park, Sangyoub Lee, Min Sun Yeom, 2004, Chembiochem : a European journal of chemical biology.

Prediction of the mutation-induced change in thermodynamic stabilities of membrane proteins from free energy simulations.

Hwangseo Park, Sangyoub Lee, 2005, Biophysical chemistry.

Structure‐Based Virtual Screening Approach to the Discovery of Novel Inhibitors of Eyes Absent 2 Phosphatase with Various Metal Chelating Moieties

Hwangseo Park, Suk-Kyeong Jung, J. Ko, 2011, Chemical biology & drug design.

Discovery of VHR Phosphatase Inhibitors with Micromolar Activity based on Structure‐Based Virtual Screening

Hwangseo Park, Seong Eon Ryu, Dae Gwin Jeong, 2008, ChemMedChem.

Discovery of novel Cdc25 phosphatase inhibitors with micromolar activity based on the structure-based virtual screening.

Hwangseo Park, Seong Eon Ryu, Tae-Sung Yoon, 2008, Journal of medicinal chemistry.