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Meiler Lab Computational Chemical and Structural Biology |
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Methods Development
Contact Prediction BCL Align Sequence Alignment and Fold Recognition Sparse EPR Data guided Protein Structure Elucidation Jufo9D Secondary Structure and TM Span Prediction Protein Structure Prediction using Fold Templates BCL::Cluster: Clustering biological molecules with PyMOL visualizationApplications
Modeling of Protein IIIA Structure Determination of DsbB using Paramagnetic Restraints Structure determination of KCNE3 using paramagnetic restraints
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Methods Development
Protein Structure Prediction Cryo-EM Fit Cryo-EM Guided Protein Fold Elucidation Membrane Protein Structure Prediction using Sparse NMR Restraints RosettaEPR BCL::EMFitMinimize Protein Structure Prediction using SAXS DataApplications
Modeling Rhodopsin Interaction with G-Protein and Arrestin
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Methods Development
Chemical Shift Prediction PharmMap Method Development for QSAR Ligand-based Virtual Screening Development of RosettaQSAR Knowledge-Based Small Molecule Conformational Sampling Novel HTS Datasets composed to benchmark ligand-based QSAR ModelingApplications
mGluR5 Related Neurological Diseases Allosteric Modulators of Neuropeptide Y Receptors
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Methods Development
Rosetta Drug Design Rosetta Design Modeling Partial Covalent Interactions in Protein Ligand InterfacesApplications
Structural Determinants of Antidepressant Drugs GPCR Model Building, Refinement, and Ligand Docking HIV-1 Protease Inhibitor Docking Protein-Ligand Interaction as Cancer Therapeutics
Meiler Lab © 2012
Center for Structural Biology
465 21st Ave South, BIOSCI/MRBIII
Vanderbilt University, Nashville, TN