Services Offered byMRI
Biological/Pharmacological Research Services
Interdisciplinary Computer-Aided Design of Bioactive Agents
- Experimental Determination of Biological and Pharmacological Activity
- Development of Conformational Libraries of Peptides and Flexible Ligand
- Development of 3D Pharmacophores for Ligand Receptor Recognition and Activation
- Drug Discovery by 3D Database Searching Using 3D Pharmacophores
- Lead Optimization by Calculation of Properties Related to Drug Delivery and Enhanced Activity
- Construction/Assessment/Use of 3D Models of Target Proteins
- Structure Based Drug Design by Characterization of Ligand/Protein Complexes
Computer-Aided Risk Assessment: Mechanism/Structure Based Predictive Toxicology
- Modeling of Pathways Leading to Toxic Products
- Computation of Mechanism Based Properties Leading to Toxic Products/Response
- Construction/Assessment/Use of 3D Models of Target Proteins
- Design of Compounds with Decreased Toxicity
- Screening of Untested Compounds for Toxicity
Construction of 3D Models of Proteins (Computational Structural Biology)
- Homology Modeling Procedures for Construction and Assessment of Robust 3D Protein Models Stable to Unconstrained Molecular Dynamics Simulations
- Construction of Integral Membrane Proteins (GPCRs) Using Untemplated Procedures
Macromolecular Modeling
- Design of Inhibitors as Therapeutic or Commercially Useful Agents
- Identification of Enzymes to Produce Useful Substances
Computer-Aided Protein Engineering
- Design of Mutant Proteins with Optimum Properties for Desired Function
- Enzymes for Detoxification of Chemicals
- Enzymes for Production of Useful Products
- Enzymes for Biodegradation
Drug Receptor Screening Services
- Determination of number and density of receptor sites
- Determination of affinities of ligands in various receptor systems
- Characterization of second messenger activation of G protein coupled receptors
- Measurement of fluorescent ion fluxes in cultured cells
Training Programs in Computational Chemistry, Molecular Modeling, Molecular Biology and Neuroscience are Offered at MRI
- Training projects may be tailored by trainee's institution.
- Training projects may serve the dual purpose of providing training while achieving research and development goals.
- MRI can provide training in the application of a wide variety of computational methods and procedures applicable to biomedical problems.
- We train professionals in other disciplines how to employ the tools of computational chemistry.
- We provide training of professionals in the techniques
of molecular biology and neuroscience.
Consulting Services
- Consulting related to Computer-Aided Drug Design /Lead Optimization/Risk Assessment Projects
- Evaluation and Recommendation for Purchase of Software
- Evaluation and Recommendation for Purchase of Hardware
- Consultation in Design or Evaluation of Interdisciplinary Research Strategies for Specific Projects
- Evaluation of Existing Databases and Modification for Effective Drug Discovery
- General Consultation for Evaluation of Merit of BioMedical Projects
- General Consultation for Behavioral Pharmacology Pertaining to Cognition, Sedation, Anxiolytic, Analgesic, Anticonvulsive, and Physical Dependence Liability
- General Consulation for in vitro Pharmacology of Receptor-Ligand Interaction and Activation and Receptor Regulation for GPCRs and Ion Channels