Institute of Molecular Function

 

             

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   Last Modified

   23 February 2018

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

 

What's New in Revision H1.

In Silico Drug Design Total Platform

In Silico Drug Design Total Platform

 

Docking Study with HyperChem

Essential, Premium Essential, Professional, Advanced, Ultimate, and Cluster

with AutoDock Vina In Silico Screenings Interface

Compatible to NAMD Molecular Dynamics and ABINIT-MP / GAMESS Fragment Molecular Orbital Quantum Mechanics Calculations for Entire Molecular System

 

Addition function to the previous revision.

Supported AutoDock Vina Virtual Screenings (unlimited number of compounds independent on package grade) (Preparation of compound database - Preparation of files - Execution - Viewing and Analyzing Vina results - Filtering hits).

Compatible to file format of fragment molecular orbital calculation programs, ABINIT-MP (BioStation Viewer) and GAMESS (Fu / Facio), for entire biomacromolecular system.

Compatible to CHARMM-based file format of ns scale molecular dynamics calculation program, NAMD (VMD).

Changed default force field to Amber99.

All module programs were improved to keep manual atomic charges of residues in biomacromolecule.

Added the latest manual.

Improved some function.

 

Manual

Manual Contents (Japanese Language)

Manual 2 Contents (Japanese Language)

Pamphlet

Docking Study with HyperChem, Revision H1 (PDF: 1 MB; Japanese)

Docking Study with HyperChem, Revision G1 (PDF: 2 MB; Japanese)

 

Homology Modeling Professional for HyperChem

with Gaussian Interface for HyperChem & ONIOM Interface for Receptor

Compatible to NAMD Molecular Dynamics and ABINIT-MP / GAMESS Fragment Molecular Orbital Quantum Mechanics Calculations for Entire Molecular System

 

Addition function to the previous revision.

ONIOM Interface was largely strengthened for the latestGaussian program.

Compatible to file format of fragment molecular orbital calculation programs, ABINIT-MP (BioStation Viewer) and GAMESS (Fu / Facio), for entire biomacromolecular system.

Compatible to CHARMM-based file format of ns scale molecular dynamics calculation program, NAMD (VMD).

Changed default force field to Amber99.

All module programs were improved to keep manual atomic charges of residues in biomacromolecule.

Added the latest manual.

Improved some function.

 

Manual

Manual Contents (Japanese Language)

Manual 2 Contents (Japanese Language)

Reference Manual Contents (Japanese Language)

Pamphlet

Homology Modeling Professional for HyperChem, Revision H1 (PDF: 1 MB; Japanese)

Homology Modeling Professional for HyperChem, Revision G1 (PDF: 4 MB; Japanese)

 

 

Structure-based Drug Design (SBDD) System

SBDD Pamphlet (PDF: 2 MB; Japanese)

 

For early revisions:

What's New in Revision G1, 2015/01

What's New in Revision F2, 2012/01

What's New in Revision F1, 2010/02

What's New in Revision E1 and E2, 2008/10

What's New in Revision D1, 2008/05

What's New in Revision C2, 2007/11

What's New in Revision C1, 2007/02

 

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