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SOLUTIONS
R&D
ABOUT US
- Overview
- History
- Partnership
- CI & BI
NEWS
CAREER

Publications

HOME > R&D > Publications

Molecular Dynamics Simulation on the Suppression Mechanism of Phosphorylation to Ser222 by Allosteric Inhibitors Targeting MEK1/2 Kinase

Bartender: Martini 3 Bonded Terms via Quantum Mechanics-Based Molecular Dynamics

Rational Prediction of PROTAC-Compatible Protein–Protein Interfaces by Molecular Docking

Molecular Dynamics Simulation Study of the Selective Inhibition of Coagulation Factor IXa over Factor Xa

Comparative analysis of RNA secondary structure accuracy on predicted RNA 3D models

Quantifying Functional-Group-like Structural Fragments in Molecules and Its Applications in Drug Design

포스트 팬데믹에서의 팜캐드 신약 개발 플랫폼

PCW-A1001, AI-assisted de novo design approach to design a selective inhibitor for FLT-3(D835Y) in acute myeloid leukemia

Quantum-based machine learning and AI models to generate force field parameters for drug-like small molecules

Bell-Evans model and steered molecular dynamics in uncovering the dissociation kinetics of ligands targeting G-protein-coupled receptors

QM/MM Simulations for the Broken-Symmetry Catalytic Reaction Mechanism of Human Arginase I

PCW-1001, a Novel Pyrazole Derivative, Exerts Antitumor and Radio-Sensitizing Activities in Breast Cancer

Classical and Machine Learning Methods for Protein – Ligand Binding Free Energy Estimation

A Structure Based Study of Selective Inhibition of Factor IXa over Factor Xa

Computational Study on Selective PDE9 Inhibitors on PDE9-Mg/Mg, PDE9-Zn/Mg, and PDE9-Zn/Zn Systems

An mRNA vaccine against SARS-CoV-2: Lyophilized, liposome-based vaccine candidate EG-COVID induces high levels of virus neutralizing antibodies

Perspectives on High-Throughput Ligand/Protein Docking With Martini MD Simulations

Structural Comparison of DNA Polymerase Architecture Suggests a Nucleotide Gateway to the Polymerase Active Site

Warfarin and vitamin K epoxide reductase: a molecular accounting for observed inhibition

Network approach of the conformational change of c-Src, a tyrosine kinase, by molecular dynamics simulation

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