Rensselaer Exploratory Center for Cheminformatics Research (RECCR)
Project Modules
Background and Significance
Statistical Learning
Multi-Objective methods and Multi-task learning
Targeted Task Models for Cheminformatics Process Development
Alternative Model Fusion
Causal Chemometrics Modeling with Kernel Partial Least Squares and Domain Knowledge Filters
Biodescriptors
Molecular Simulation-Based Descriptors
Potential of Mean Force Approach for describing Biomolecular Hydration
Protein Dissimilarity Analysis using Shape/Property Descriptors
Beyond ATCG: “Dixel” representations of DNA-protein interactions
Bioseparations
Bioseparations
Chemoselective Displacer Synthesis
QSAR
Cyclazocine QSAR and Synthesis
Protein Stability and Folding
Elucidation of the Structural Basis of Protein Kinetic Stability
Theoretical Characterization of Kinetically Stable Proteins
Statistical Models for Protein Folding Pathways
Simulating Unfolding in Kinetically Stable Proteins
Bio-Informatics
Mining Complex Patterns
FASTH
References
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