Related references
Note: Only part of the references are listed.propy: a tool to generate various modes of Chou's PseAAC
Dong-Sheng Cao et al.
BIOINFORMATICS (2013)
A structural chemogenomics analysis of aminergic GPCRs: lessons for histamine receptor ligand design
A. J. Kooistra et al.
BRITISH JOURNAL OF PHARMACOLOGY (2013)
Comparison of Confirmed Inactive and Randomly Selected Compounds as Negative Training Examples in Support Vector Machine-Based Virtual Screening
Kathrin Heikamp et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2013)
A ligand's-eye view of protein similarity
Gerard J. P. van Westen et al.
NATURE METHODS (2013)
Genome-Scale Screening of Drug-Target Associations Relevant to Ki Using a Chemogenomics Approach
Dong-Sheng Cao et al.
PLOS ONE (2013)
Significantly Improved HIV Inhibitor Efficacy Prediction Employing Proteochemometric Models Generated From Antivirogram Data
Gerard J. P. van Westen et al.
PLOS COMPUTATIONAL BIOLOGY (2013)
Structure-Based Identification of OATP1B1/3 Inhibitors
Tom De Bruyn et al.
MOLECULAR PHARMACOLOGY (2013)
Protein-Ligand-Based Pharmacophores: Generation and Utility Assessment in Computational Ligand Profiling
Jamel Meslamani et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2012)
Identifying Novel Adenosine Receptor Ligands by Simultaneous Proteochemometric Modeling of Rat and Human Bioactivity Data
Gerard J. P. van Westen et al.
JOURNAL OF MEDICINAL CHEMISTRY (2012)
ChEMBL: a large-scale bioactivity database for drug discovery
Anna Gaulton et al.
NUCLEIC ACIDS RESEARCH (2012)
Chemogenomics Approaches for Receptor Deorphanization and Extensions of the Chemogenomics Concept to Phenotypic Space
Eelke van der Horst et al.
CURRENT TOPICS IN MEDICINAL CHEMISTRY (2011)
Which Compound to Select in Lead Optimization? Prospectively Validated Proteochemometric Models Guide Preclinical Development
Gerard J. P. van Westen et al.
PLOS ONE (2011)
Gaussian process: an alternative approach for QSAM modeling of peptides
Peng Zhou et al.
AMINO ACIDS (2010)
ST-scale as a novel amino acid descriptor and its application in QSAM of peptides and analogues
Li Yang et al.
AMINO ACIDS (2010)
A novel chemogenomics analysis of G protein-coupled receptors (GPCRs) and their ligands: a potential strategy for receptor de-orphanization
Eelke van der Horst et al.
BMC BIOINFORMATICS (2010)
Extended-Connectivity Fingerprints
David Rogers et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2010)
Mining protein dynamics from sets of crystal structures using consensus structures
Gerard J. P. van Westen et al.
PROTEIN SCIENCE (2010)
Proteochemometrics mapping of the interaction space for retroviral proteases and their substrates
Aleksejs Kontijevskis et al.
BIOORGANIC & MEDICINAL CHEMISTRY (2009)
Development and Validation of a Novel Protein-Ligand Fingerprint To Mine Chemogenomic Space: Application to G Protein-Coupled Receptors and Their Ligands
Nathanael Weill et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2009)
Proteochemometric Modeling of Drug Resistance over the Mutational Space for Multiple HIV Protease Variants and Multiple Protease Inhibitors
Maris Lapins et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2009)
How Similar Are Similarity Searching Methods? A Principal Component Analysis of Molecular Descriptor Space
Andreas Bender et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2009)
Interpretable Numerical Descriptors of Amino Acid Space
Alexander G. Georgiev
JOURNAL OF COMPUTATIONAL BIOLOGY (2009)
Proteochemometric modeling of HIV protease susceptibility
Maris Lapins et al.
BMC BIOINFORMATICS (2008)
Interaction Model Based on Local Protein Substructures Generalizes to the Entire Structural Enzyme-Ligand Space
Helena Stroembergsson et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2008)
Relating protein pharmacology by ligand chemistry
Michael J. Keiser et al.
NATURE BIOTECHNOLOGY (2007)
A look inside HIV resistance through retroviral protease interaction maps
Aleksejs Kontijevskis et al.
PLOS COMPUTATIONAL BIOLOGY (2007)
A physicogenetic method to assign ligand-binding relationships between 7TM receptors
TM Frimurer et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2005)
Virtual screen for ligands of orphan G protein-coupled receptors
JR Bock et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2005)
A new set of amino acid descriptors and its application in peptide QSARs
H Mei et al.
BIOPOLYMERS (2005)
Protein flexibility and drug design: how to hit a moving target
HA Carlson
CURRENT OPINION IN CHEMICAL BIOLOGY (2002)
Proteochemometrics modeling of the interaction of amine G-protein coupled receptors with a diverse set of ligands
M Lapinsh et al.
MOLECULAR PHARMACOLOGY (2002)
Development of proteo-chemometrics: a novel technology for the analysis of drug-receptor interactions
M Lapinsh et al.
BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS (2001)
Assessing the accuracy of prediction algorithms for classification: an overview
P Baldi et al.
BIOINFORMATICS (2000)
Share Paper
