GalaxyDock3: Protein–ligand docking that considers the full ligand conformational flexibility
Published 2019 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
GalaxyDock3: Protein–ligand docking that considers the full ligand conformational flexibility
Authors
Keywords
-
Journal
JOURNAL OF COMPUTATIONAL CHEMISTRY
Volume -, Issue -, Pages -
Publisher
Wiley
Online
2019-08-19
DOI
10.1002/jcc.26050
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Converging a Knowledge-Based Scoring Function: DrugScore2018
- (2018) Jonas Dittrich et al. Journal of Chemical Information and Modeling
- GalaxyDock BP2 score: a hybrid scoring function for accurate protein–ligand docking
- (2017) Minkyung Baek et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- Simultaneous refinement of inaccurate local regions and overall structure in the CASP12 protein model refinement experiment
- (2017) Gyu Rie Lee et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Galaxy7TM: flexible GPCR–ligand docking by structure refinement
- (2016) Gyu Rie Lee et al. NUCLEIC ACIDS RESEARCH
- The Cambridge Structural Database
- (2016) Colin R. Groom et al. Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials
- Molecular docking and molecular dynamics simulation studies of Trypanosoma cruzi triosephosphate isomerase inhibitors. Insights into the inhibition mechanism and selectivity
- (2015) Lucía Minini et al. JOURNAL OF MOLECULAR GRAPHICS & MODELLING
- Effective protein model structure refinement by loop modeling and overall relaxation
- (2015) Gyu Rie Lee et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Ensemble-Based Docking Using Biased Molecular Dynamics
- (2014) Arthur J. Campbell et al. Journal of Chemical Information and Modeling
- Protein Loop Modeling Using a New Hybrid Energy Function and Its Application to Modeling in Inaccurate Structural Environments
- (2014) Hahnbeom Park et al. PLoS One
- Discovery of ZAP70 inhibitors by high-throughput docking into a conformation of its kinase domain generated by molecular dynamics
- (2013) Hongtao Zhao et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- Lessons Learned in Empirical Scoring with smina from the CSAR 2011 Benchmarking Exercise
- (2013) David Ryan Koes et al. Journal of Chemical Information and Modeling
- GalaxyDock2: Protein-ligand docking using beta-complex and global optimization
- (2013) Woong-Hee Shin et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- GalaxyRefine: protein structure refinement driven by side-chain repacking
- (2013) Lim Heo et al. NUCLEIC ACIDS RESEARCH
- GalaxyDock: Protein–Ligand Docking with Flexible Protein Side-chains
- (2012) Woong-Hee Shin et al. Journal of Chemical Information and Modeling
- Conformer Generation with OMEGA: Learning from the Data Set and the Analysis of Failures
- (2012) Paul C. D. Hawkins et al. Journal of Chemical Information and Modeling
- BioLiP: a semi-manually curated database for biologically relevant ligand–protein interactions
- (2012) Jianyi Yang et al. NUCLEIC ACIDS RESEARCH
- fconv: format conversion, manipulation and feature computation of molecular data
- (2011) G. Neudert et al. BIOINFORMATICS
- Molecular dynamics simulations and drug discovery
- (2011) Jacob D Durrant et al. BMC BIOLOGY
- Protein loop modeling by using fragment assembly and analytical loop closure
- (2010) Julian Lee et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Empirical Scoring Functions for Advanced Protein−Ligand Docking with PLANTS
- (2009) Oliver Korb et al. Journal of Chemical Information and Modeling
- AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
- (2009) Garrett M. Morris et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- DOCK 6: Combining techniques to model RNA-small molecule complexes
- (2009) P. T. Lang et al. RNA
- An Improved PMF Scoring Function for Universally Predicting the Interactions of a Ligand with Protein, DNA, and RNA
- (2008) Xiaoyu Zhao et al. Journal of Chemical Information and Modeling
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started