Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets
Published 2013 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets
Authors
Keywords
GPCR, HIV, QSAM, Peptides, Amino acid index, Protein descriptors, Polypharmacology
Journal
Journal of Cheminformatics
Volume 5, Issue 1, Pages 42
Publisher
Springer Nature
Online
2013-09-24
DOI
10.1186/1758-2946-5-42
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- propy: a tool to generate various modes of Chou’s PseAAC
- (2013) Dong-Sheng Cao et al. BIOINFORMATICS
- A structural chemogenomics analysis of aminergic GPCRs: lessons for histamine receptor ligand design
- (2013) A J Kooistra et al. BRITISH JOURNAL OF PHARMACOLOGY
- Comparison of Confirmed Inactive and Randomly Selected Compounds as Negative Training Examples in Support Vector Machine-Based Virtual Screening
- (2013) Kathrin Heikamp et al. Journal of Chemical Information and Modeling
- A ligand's-eye view of protein similarity
- (2013) Gerard J P van Westen et al. NATURE METHODS
- Genome-Scale Screening of Drug-Target Associations Relevant to Ki Using a Chemogenomics Approach
- (2013) Dong-Sheng Cao et al. PLoS One
- Significantly Improved HIV Inhibitor Efficacy Prediction Employing Proteochemometric Models Generated From Antivirogram Data
- (2013) Gerard J. P. van Westen et al. PLoS Computational Biology
- Protein–Ligand-Based Pharmacophores: Generation and Utility Assessment in Computational Ligand Profiling
- (2012) Jamel Meslamani et al. Journal of Chemical Information and Modeling
- Identifying Novel Adenosine Receptor Ligands by Simultaneous Proteochemometric Modeling of Rat and Human Bioactivity Data
- (2012) Gerard J. P. van Westen et al. JOURNAL OF MEDICINAL CHEMISTRY
- Chemogenomics Approaches for Receptor Deorphanization and Extensions of the Chemogenomics Concept to Phenotypic Space
- (2011) Eelke van der Horst et al. CURRENT TOPICS IN MEDICINAL CHEMISTRY
- ChEMBL: a large-scale bioactivity database for drug discovery
- (2011) A. Gaulton et al. NUCLEIC ACIDS RESEARCH
- Which Compound to Select in Lead Optimization? Prospectively Validated Proteochemometric Models Guide Preclinical Development
- (2011) Gerard J. P. van Westen et al. PLoS One
- A novel chemogenomics analysis of G protein-coupled receptors (GPCRs) and their ligands: a potential strategy for receptor de-orphanization
- (2010) Eelke van der Horst et al. BMC BIOINFORMATICS
- Extended-Connectivity Fingerprints
- (2010) David Rogers et al. Journal of Chemical Information and Modeling
- Mining protein dynamics from sets of crystal structures using “consensus structures”
- (2010) Gerard J. P. van Westen et al. PROTEIN SCIENCE
- Gaussian process: an alternative approach for QSAM modeling of peptides
- (2009) Peng Zhou et al. AMINO ACIDS
- ST-scale as a novel amino acid descriptor and its application in QSAM of peptides and analogues
- (2009) Li Yang et al. AMINO ACIDS
- Proteochemometrics mapping of the interaction space for retroviral proteases and their substrates
- (2009) Aleksejs Kontijevskis et al. BIOORGANIC & MEDICINAL CHEMISTRY
- Development and Validation of a Novel Protein−Ligand Fingerprint To Mine Chemogenomic Space: Application to G Protein-Coupled Receptors and Their Ligands
- (2009) Nathanael Weill et al. Journal of Chemical Information and Modeling
- Proteochemometric Modeling of Drug Resistance over the Mutational Space for Multiple HIV Protease Variants and Multiple Protease Inhibitors
- (2009) Maris Lapins et al. Journal of Chemical Information and Modeling
- How Similar Are Similarity Searching Methods? A Principal Component Analysis of Molecular Descriptor Space
- (2009) Andreas Bender et al. Journal of Chemical Information and Modeling
- Interpretable Numerical Descriptors of Amino Acid Space
- (2009) Alexander G. Georgiev JOURNAL OF COMPUTATIONAL BIOLOGY
- Proteochemometric modeling of HIV protease susceptibility
- (2008) Maris Lapins et al. BMC BIOINFORMATICS
- Interaction Model Based on Local Protein Substructures Generalizes to the Entire Structural Enzyme-Ligand Space
- (2008) Helena Strömbergsson et al. Journal of Chemical Information and Modeling
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started