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Bioinformatics (Oxford, England)|August 8, 2026
MOZAIC: Compound Growth via In Silico Reactions and Global Optimization using Conformational Space AnnealingJinhyeok Yoo, Woong-Hee ShinCurrent Opinion in Structural Biology|February 19, 2025
From part to whole: AI-driven progress in fragment-based drug discoveryJinhyeok Yoo, Wonkyeong Jang, Woong-Hee ShinJournal of Chemical Information and Modeling|December 4, 2012
GalaxyDock: protein-ligand docking with flexible protein side-chainsWoong-Hee Shin, Chaok SeokBiorxiv : the Preprint Server for Biology|March 11, 2024
PL-PatchSurfer3: Improved Structure-Based Virtual Screening for Structure Variation Using 3D Zernike DescriptorsWoong-Hee Shin, Daisuke KiharaMethods in Molecular Biology (Clifton, N.J.)|April 5, 2019
55 Years of the Rossmann FoldWoong-Hee Shin, Daisuke KiharaJournal of Computer-Aided Molecular Design|September 12, 2019
Predicting binding poses and affinity ranking in D3R Grand Challenge using PL-PatchSurfer2.0Woong-Hee Shin, Daisuke KiharaMethods in Molecular Biology (Clifton, N.J.)|March 30, 2018
Virtual Ligand Screening Using PL-PatchSurfer2, a Molecular Surface-Based Protein-Ligand Docking MethodWoong-Hee Shin, Daisuke KiharaBriefings in Bioinformatics|January 11, 2026
CoBRA: compound binding site prediction using RNA language modelWonkyeong Jang, Woong-Hee ShinBioinformatics (Oxford, England)|July 1, 2026
KASSPer: Kinase Active Site Structure Prediction using Protein and Ligand Language Models and Its Application to Virtual ScreeningWonkyeong Jang, Woong-Hee ShinPattern Recognition|February 12, 2020
Three-Dimensional Krawtchouk Descriptors for Protein Local Surface Shape ComparisonAtilla Sit, Woong-Hee Shin, Daisuke KiharaPageof 6