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   Last Modified

   15 February 2017

Products

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 Drug Design Methodology for Organic Chemists

Software and Books

Molecular Modeling and Structure-based Drug Design Systems

 

Structure-based Drug Design System Flow Chart

Target Disease (Target Gene)       Structure-based Drug Design System
     
Target Amino-acid Sequence Homology Modeling Homology Modeling for HyperChem
  Optimization of Protein Structure   Gaussian Interface for HyperChem
     
Target Protein Structure in silico Screening Docking Study with HyperChem
      Virtual Screening System
     
Protein - Ligand Complex Analysis of Complex Docking Study with HyperChem
      ONIOM Interface for Receptor
      Gaussian Interface for HyperChem
     
Lead Compound Lead Optimization Docking Study with HyperChem
      Virtual Screening System
       
Drug Candidate        

Products

Package

Module Programs

Revision G1 Revision G1
Professional Max. 10,000 Compounds
Control Center
Estimation of Hydrogen Atoms in Water  
Geometry Correction
Homology Modeling

 

 
Interface Selection  
Peripheral Modeling

 

 
ONIOM Interface  
Gaussian Interface  
Protein Superposition  
Ramachandran Plot  
Restraints  
Side Chain Rotamer Modeling

 

 
Trajectory Analyzer  
Docking Study  
Dock Viewer  

Single ~ Max. 10,000 Comp

Mol Browser  
Mol Dimension  

Single ~ Max. 10,000 Comp

PIEFF  

Simultaneous Predictable Atoms 1000 (ca. 80 Residues)

Homology Modeling Professional for HyperChem Manual    
Docking Study with HyperChem,  in silico Screening, Manual    

Docking Study with HyperChem Family

Family

Module Programs

Essential Premium Essential Professional Advanced Ultimate Virtual Screening System
Control Center Non-limited Non-limited Non-limited Non-limited Non-limited Non-limited
Geometry Correction Non-limited Non-limited Non-limited Non-limited Non-limited Non-limited
Docking Study Single Compound Max. 10 Compounds Max. 100 Compounds Max. 1,000 Compounds Max. 10,000 Compounds Non-limited, Cluster
Dock Viewer Non-limited Non-limited Non-limited Non-limited Non-limited Non-limited
Mol Browser Non-limited Non-limited Non-limited Non-limited Non-limited Non-limited
Mol Dimension Single Compound Max. 10 Compounds Max. 100 Compounds Max. 1,000 Compounds Max. 10,000 Compounds Non-limited, Cluster
PIEFII Limited Version Limited Version Limited Version Limited Version Limited Version Non-limited Version

Software Requirement

Software Producer Feature Related Site
HyperChem for Windows The Most Powerful Molecular Modeling Environment HyperChem Outline

Download Site of Free Evaluation

Gaussian for Windows The Most Powerful Computational Chemistry Environment  
TclPro1.2 for Windows HyperChem Developer's Environment Download Site (Free)

 

Others

Ab Initio 3D Modeling

 

Books

Homology Modeling Reference for HyperChem (old product: Homology Modeling for HyperChem, Revision A2, Reference Manual)

 

* HyperChem is a registered trademark of Hypercube, Inc.

** Gaussian is a registered trademark of Gaussian, Inc.

 

 

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