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 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

The Next-generation Structure-based Drug Design System

 


                  The Next-generation Drug Discovery Technology

                                        PEIFII

                                     Ab-Initio Protein-Ligand Interaction Site

                                  & Potential Ligand Prediction Technology

                                          A New Drug Design Methodology


 

Announce


What's New in Revision B1 and C1.

 

Homology Modeling Professional for HyperChem, Revision C1  Now Available

with Gaussian Interface for HyperChem & ONIOM Interface for Receptor

 

Powered by Homology Modeling for HyperChem   THE IMPOSSIBLE BECOMES POSSIBLE.

New, High-Performance Software for Protein Modeling, Functional Analysis, and Simulation.

Homology Modeling for HyperChem is the latest molecular modeling package which can carry out the molecular modeling, functional analysis, and simulations of a big molecular system using comprehensively the ab-initio quantum chemistry calculations and the molecular dynamics simulations as well as the molecular mechanics calculations. The program can control seamlessly both HyperChem and Gaussian03 packages and can be simultaneously fed back their calculation results to the big molecular system in the HyperChem graphical user interface. In the professional version, the whole molecular system can be operated in a quantum chemistry via the full-automatic ONIOM interface to Gaussian. All operations are fully automated in the GUI-based manner, and thus the program supports the logical molecular modeling, functional analysis, and simulations in the life science research such as the structure-based drug design, as well as an unexplored research. Moreover, now, this program can cooperate with a protein- and ligand-flexible multiple-compound docking simulation program bearing the PIEFII technology. In the Revision B1 and C1, the protein modeling, functional analysis, and simulations can be performed in the level of figure of a literature or a demonstration using the full-automatic rendering and labeling functions.

 

Click on this movie for the details

Homology Modeling for HyperChem, Revision C1  Now Available

with Gaussian Interface for HyperChem

 

ONIOM Interface for Receptor, Revision C1  Now Available

 

Gaussian Interface for HyperChem, Revision C1  Now Available


 

Docking Study with HyperChem, Revision B1   Now Available

- Carrying The Next-generation Drug Discovery Technology, The PIEFII Technology -

Advanced Technology & The High-Performance, Protein- & Ligand-Flexible Docking Simulation Program Package

From the Revision A3, some versions with a multiple-compound screening function are added to a product family.

Now, Docking Study with HyperChem can carry out the in-silico screenings of a drug candidate from a maximum 10,000 compound database.


 

Acknowledgement


We really appreciate great cooperation of Neil S. Ostlund, President and Chief Executive Officer of Hypercube, Inc.


 

Latest News   Archives


2007/09/03

Updated the free program package, Molecular Modeling Tools for HyperChem, compatible to the PDB file format version 3.x.

2007/08/30

The latest version of Docking Study with HyperChem is available.

2007/08/28

Ready to ship the latest revisions compatible to the Protein Data Bank format versions 3.0 and 3.1.

2007/08/16

Our products are available from Fiatlux Corporation.

2007/07/01

Updated the free program package, Molecular Modeling Tools for HyperChem, Rev. C1. Please try it on evaluating our products.

2007/06/29

An article entitled Development of the Structure-based Drug Design Systems, HMHC and DSHC has been published in the first issue of Molecular Science electronic journal.

2007/06/16

Homology Modeling for HyperChem Series, Revision C1 compatible with HyperChem8.03 is now available.

Docking Study with HyperChem Series, Revision B1 compatible with HyperChem8.03 is now available.

2007/06/11

Announcing a new version of Homology Modeling for HyperChem.

Announcing a new version of Docking Study with HyperChem.


 

* HyperChem is a registered trademark of Hypercube, Inc.

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

 

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