Development of Natural Compound Molecular Fingerprint (NC-MFP) with the Dictionary of Natural Products (DNP) for natural product-based drug development

Myungwon Seo, Hyun Kil Shin, Yoochan Myung, +2

Journal of Cheminformatics

Classification of dog skin diseases using deep learning with images captured from multispectral imaging device

Sungbo Hwang, Hyun Kil Shin, Jin Moon Park, +2

Molecular & Cellular Toxicology

Convolutional Neural NetworkEngineeringDiagnosisDisease DetectionDermatology +20

BMDMS-NP: A comprehensive ESI-MS/MS spectral library of natural compounds

Sang‐Won Lee, Sungbo Hwang, Myungwon Seo, +6

Phytochemistry

Structure ElucidationOrganic ChemistryChemistryNatural CompoundsSpectra-structure Correlation

Interaction Analysis of the Spike Protein of Delta and Omicron Variants of SARS-CoV-2 with hACE2 and Eight Monoclonal Antibodies Using the Fragment Molecular Orbital Method

Sungbo Hwang, Seung‐Hwa Baek, Daeui Park

Journal of Chemical Information and Modeling

New VariantsViral PathogenesisImmunologyMolecular BiologyViral Structural Protein +16

Evaluation of Selective COX-2 Inhibition and In Silico Study of Kuwanon Derivatives Isolated from Morus alba

Seung‐Hwa Baek, Sungbo Hwang, Tamina Park, +3

International Journal of Molecular Sciences

Investigation of Hot Spot Region in XIAP Inhibitor Binding Site by Fragment Molecular Orbital Method

Hocheol Lim, Xuemei Jin, Jongwan Kim, +5

Computational and Structural Biotechnology Journal

PMFF: Development of a Physics-Based Molecular Force Field for Protein Simulation and Ligand Docking

Sungbo Hwang, Chang Joon Lee, Sehan Lee, +18

The Journal of Physical Chemistry B

Proton Transfer EnergyEngineeringMolecular BiologyImplicit Solvation ModelLigand Docking +17

PreMetabo: An in silico phase I and II drug metabolism prediction platform

Sungbo Hwang, Hyun Kil Shin, Seong Eun Shin, +5

Drug Metabolism and Pharmacokinetics

Systems PharmacologyPredictive ToxicologyBiochemistryMedicineRational Drug Design +9

ToxSTAR: drug-induced liver injury prediction tool for the web environment

Hyun Kil Shin, Hang‐Suk Chun, Sangwoo Lee, +8

Bioinformatics

Computational classification models for predicting the interaction of compounds with hepatic organic ion importers

Hwan You, Kyungro Lee, Sangwon Lee, +4

Drug Metabolism and Pharmacokinetics

Predictive ToxicologyBiochemistryComputational Classification ModelsMedicineBioanalysis +6