J
Jui-Chih Wang
Researcher at National Taiwan University
Publications - 4
Citations - 233
Jui-Chih Wang is an academic researcher from National Taiwan University. The author has contributed to research in topics: Scoring functions for docking & Virtual screening. The author has an hindex of 3, co-authored 4 publications receiving 206 citations.
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idTarget: a web server for identifying protein targets of small chemical molecules with robust scoring functions and a divide-and-conquer docking approach
TL;DR: A web server, idTarget, which can predict possible binding targets of a small chemical molecule via a divide-and-conquer docking approach, in combination with recently developed scoring functions based on robust regression analysis and quantum chemical charge models.
Journal ArticleDOI
Robust Scoring Functions for Protein-Ligand Interactions with Quantum Chemical Charge Models
TL;DR: Two well-established quantum chemical approaches are employed, namely the restrained electrostatic potential (RESP) and the Austin-model 1-bond charge correction (AM1-BCC) methods, to obtain atomic partial charges, and it is compared how different charge models affect the performance of AutoDock4 scoring functions.
Journal ArticleDOI
Scoring functions for prediction of protein-ligand interactions.
Jui-Chih Wang,Jung-Hsin Lin +1 more
TL;DR: The foundations of different classes of scoring functions, their possible limitations, and their suitable application domains are explored, and assessments of several scoring functions on weakly-interacting protein-ligand complexes are provided.