Homology modeling, force field design, and free energy simulation studies to optimize the activities of histone deacetylase inhibitors. - Hwangseo Park; Sangyoub Lee (J. Comput. Aided Mol. Des., 2004)

Free energy perturbation approach to the critical assessment of selective cyclooxygenase-2 inhibitors. - Hwangseo Park; Sangyoub Lee (J. Comput. Aided Mol. Des., 2005)

Prediction of Molecular Solvation Free Energy Based on the Optimization of Atomic Solvation Parameters with Genetic Algorithm. - Hongsuk Kang; Hwanho Choi; Hwangseo Park (J. Chem. Inf. Model., 2007)

New angle-dependent potential energy function for backbone-backbone hydrogen bond in protein-protein interactions. - Hwanho Choi; Hongsuk Kang; Hwangseo Park (J. Comput. Chem., 2010)

Identification of novel inhibitors of mitogen-activated protein kinase phosphatase-1 with structure-based virtual screening. - Hwangseo Park; Jeong-Yi Jeon; Song Yi Kim; Dae Gwin Jeong; Seong Eon Ryu (J. Comput. Aided Mol. Des., 2011)

Identification of Novel Inhibitors of Tropomyosin-Related Kinase A through the Structure-Based Virtual Screening with Homology-Modeled Protein Structure. - Hwangseo Park; Okyung Chi; Jinhee Kim; Sungwoo Hong (J. Chem. Inf. Model., 2011)

Identification of common inhibitors of wild-type and T315I mutant of BCR-ABL through the parallel structure-based virtual screening. - Hwangseo Park; Seunghee Hong; Sungwoo Hong (J. Comput. Aided Mol. Des., 2012)

New solvation free energy function comprising intermolecular solvation and intramolecular self-solvation terms. - Hwanho Choi; Hongsuk Kang; Hwangseo Park (J. Cheminformatics, 2013)

Extended solvent-contact model approach to SAMPL4 blind prediction challenge for hydration free energies. - Hwangseo Park (J. Comput. Aided Mol. Des., 2014)

Consensus Scoring Approach To Identify the Inhibitors of AMP-Activated Protein Kinase α2 with Virtual Screening. - Hwangseo Park; Jae-Won Eom; Yang-Hee Kim (J. Chem. Inf. Model., 2014)

Accuracy enhancement in the estimation of molecular hydration free energies by implementing the intramolecular hydrogen bond effects. - Kee-Choo Chung; Hwangseo Park (J. Cheminformatics, 2015)

Extended solvent-contact model approach to blind SAMPL5 prediction challenge for the distribution coefficients of drug-like molecules. - Kee-Choo Chung; Hwangseo Park (J. Comput. Aided Mol. Des., 2016)

Discovery of Low Micromolar Dual Inhibitors for Wild Type and L1196M Mutant of Anaplastic Lymphoma Kinase through Structure-Based Virtual Screening. - Saemina Shin; Shinmee Mah; Sungwoo Hong; Hwangseo Park (J. Chem. Inf. Model., 2016)

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; Bonsu Ku; Sang-Rae Lee; Seung Jun Kim (J. Comput. Aided Mol. Des., 2017)

NPCARE: database of natural products and fractional extracts for cancer regulation. - Hwanho Choi; Sun Young Cho; Ho Jeong Pak; Youngsoo Kim; Jung-Yun Choi; Yoon Jae Lee; Byung Hee Gong; Yeon Seok Kang; Taehoon Han; Geunbae Choi; Yeeun Cho; Soomin Lee; et al. (J. Cheminformatics, 2017)

Systematic Computational Design and Identification of Low Picomolar Inhibitors of Aurora Kinase A. - Hwangseo Park; Hoi-Yun Jung; Shinmee Mah; Sungwoo Hong (J. Chem. Inf. Model., 2018)

Two-Track Virtual Screening Approach to Identify the Dual Inhibitors of Wild Type and C481S Mutant of Bruton's Tyrosine Kinase. - Taeho Kim; Kewon Kim; Inyoung Park; Sungwoo Hong; Hwangseo Park (J. Chem. Inf. Model., 2022)