Résultats de la recherche

  • Flux RSS
(1 - 20 of 82)

Pages

Topological Pharmacophores
Generative Topographic Mapping of Conformational Space
Generative Topographic Mapping of Conformational Space
Pros and Cons of Virtual Screening Based on Public “Big Data”: In Silico Mining for New Bromodomain Inhibitors
Folding, Docking, Sampling: the challenge of (free) energy function calibration in 3D molecular modeling, and some atypical strategies borrowed from chemoinformatics
Mapping of the available chemical space versus the chemical universe of lead-like compounds
Rescoring of Docking Poses under Occam’s Razor – Are there Simpler Solutions
Rescoring of Docking Poses under Occam’s Razor – Are there Simpler Solutions?
Mapping the Conformational Space of Docking Problems
Crystal structure of a xylulose 5-phosphate phosphoketolase. Insights into the substrate specificity for xylulose 5-phosphate
Generative topographic mapping in drug design
“Big Data” Fast Chemoinformatics Model to Predict Generalized Born Radius and Solvent Accessibility as a Function of Geometry
Prediction of the Glass-Transition Temperatures of Linear Homo/Heteropolymers and Cross-Linked Epoxy Resins
Trustworthiness, the Key to Grid-Based Map-Driven Predictive Model Enhancement and Applicability Domain Control
CovaDOTS: In Silico Chemistry-Driven Tool to Design Covalent Inhibitors Using a Linking Strategy
Generative Topographic Mapping of the Docking Conformational Space
Generative Topographic Mapping Approach to Chemical Space Analysis
Do Not Hesitate to Use Tversky—and Other Hints for Successful Active Analogue Searches with Feature Count Descriptors
Local neighborhood behavior in a combinatorial library context
ISIDA Property-Labelled Fragment Descriptors

Pages

Islandora displays