Institute of Molecular Function

 

 

             

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   Last Modified

   8 February 2019

Theoretical Organic Chemistry Nuclear Receptor Chemistry Structural Bioinformatics Rational Drug Design

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 AutoDock Vina In Silico Screenings Interface The Next-generation Drug Design Technology Drug Design Methodology for Organic Chemists MFDD In Silico Drug Design Research Service HyperChem

Molecular Modeling and Structure-based Drug Design Systems

 

Virtual Screening System

with AutoDock Vina In Silico Screenings Interface

- Carrying The Ultimate Technology In The Drug Discovery -

 

Fully corresponding to AutoDock Vina Virtual Screening (preparation of compound database - preparation of all input files - execution - viewing and filtering of hits; supports also simultaneous analysis of both Docking Study and AutoDock Vina results)

AutoDock Vina in silico (virtual) screenings can be used for million number of compounds. Then, the highly precise docking simulations for the resulting compounds using Virtual Screening System are useful for obtaining a drug candidate.

 

Virtual Screening System is the drug discovery system based on the Docking Study with HyperChem program. The program can be used for exploring a candidate of drug from a certain compound database, i.e., in silico screenings.

 

SYSTEM CONCEPT

 

 

Benchmark Test of Docking Study Programs

 

 

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