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A Summer School for Structuring the Chemoinformatics Community
Comparative evaluation of eight docking tools for docking and virtual screening accuracy
sc-PDB: a database for identifying variations and multiplicity of 'druggable' binding sites in proteins
Ranking Targets in Structure-Based Virtual Screening of Three-Dimensional Protein Libraries: Methods and Problems
Comparing atom-based with residue-based descriptors in predicting binding site similarity: do backbone atoms matter?
Comparison and Druggability Prediction of Protein–Ligand Binding Sites from Pharmacophore-Annotated Cavity Shapes
A chemogenomic analysis of the transmembrane binding cavity of human G-protein-coupled receptors
sc-PDB: a 3D-database of ligandable binding sites—10 years on
Identification of a low–molecular weight TrkB antagonist with anxiolytic and antidepressant activity in mice
Topological analysis of the complex formed between neurokinin A and the NK2 tachykinin receptor
Stereospecificity of the Siderophore Pyochelin Outer Membrane Transporters in Fluorescent Pseudomonads
Identification of Nonpeptide CCR5 Receptor Agonists by Structure-based Virtual Screening
Predicting Ligand Binding Modes from Neural Networks Trained on Protein–Ligand Interaction Fingerprints
Synthesis and biological properties of thiazole-analogues of pyochelin, a siderophore of Pseudomonas aeruginosa
 Redesign of Schistosoma mansoni NAD + Catabolizing Enzyme: Active Site H103W Mutation Restores ADP-Ribosyl Cyclase Activity
Local Interaction Density (LID), a Fast and Efficient Tool to Prioritize Docking Poses
Structural Insights into the Molecular Basis of the Ligand Promiscuity
Unsupervised Classification of G-Protein Coupled Receptors and Their Conformational States Using IChem Intramolecular Interaction Patterns
sc-PDB:  an Annotated Database of Druggable Binding Sites from the Protein Data Bank
Allosteric Model of Maraviroc Binding to CC Chemokine Receptor 5 (CCR5)

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