Institute of Molecular Function

 

         

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 Introduces a new logical drug design methodology for organic chemists.

 The protein- and ligand-flexible docking simulation program, Docking Study with HyperChem

 Free software, Molecular Modeling Tools for HyperChem

   Last Modified

   7 Sep 2007

Homology Modeling for HyperChem

Homology Modeling for HyperChem Logo Gaussian Interface for HyperChem Logo Full-Auto Interactive, Muti-layer ONIOM Interface Logo Docking Study with HyperChem Logo Mol Dimension Logo Virtual Screening System Technology The Next-generation Drug Design Technology

 

Logical Ligand Design

A New Drug Design Methodology for Organic Chemists   Coming Soon

Program: Homology Modeling Professional for HyperChem Revision A3 and Docking Study with HyperChem Revision A3

 

Design of Human Retinoid X Receptor Agonists   5 pictures   New

Program: Homology Modeling Professional for HyperChem Revision B1 and Docking Study with HyperChem Revision A3

 

Design of Human Retinoid X Receptor Antagonists   6 pictures   New

Program: Homology Modeling Professional for HyperChem Revision B1 and Docking Study with HyperChem Revision A3

 

Preparation of a Retinal Schiff base in the Human Rhodopsin Model   21 pictures

Program: Homology Modeling for HyperChem Revision A3

 

Reaction Coordinate Analysis for Protein-Ligand Complex Formation

Analysis

Program: Homology Modeling for HyperChem Revision A3

 

Homology Modeling

Homology Modeling of Human Rhodopsin   20 pictures   New

Program: Homology Modeling Professional for HyperChem Revision B1

Template molecule: bovine rhodopsin

Contains cell membrane components.

Contains heavy metal atoms.

Contains the retinal Schiff base and covalent bonds with sugars.

 

Homology Modeling of Human Androgen Receptor DNA Binding Domain   14 pictures   New

Program: Homology Modeling Professional for HyperChem Revision B1

Template molecule: human glucocorticoid receptor DNA binding domain

Contains zinc atoms of zinc finger motifs.

Forms a complex with double-strand DNA response elements.

Forms a dimer structure.

 

Homology Modeling of Human Mineralocorticoid Ligand Binding Domain   16 pictures   New

Program: Homology Modeling Professional for HyperChem Revision B1

Template molecule: human glucocorticoid receptor ligand binding domain

Contains a cofactor fragment.

Forms a complex with agonist, dexamethasone.

 

Structure-based Drug Design System

Slide Show   Coming Soon

 

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