Last Modified

   1 January 2020

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 Commissioned Research Service HyperChem



Structural Bioinformatics


ab initio 3D Modeling

The "ab initio 3D modeling" based on the high precision of our secondary structure prediction algorithm

The predicted structures well reproduced the corresponding crystal structures (refer to the results of the protein superposition).  In particular, our algorithm precisely predicted both a loop structure and a random coil structure. Consequently, the secondary structure parts (helices and sheets) are coordinated to a suitable orientation, thus giving a well-reproduced whole structure.


Superposition between the Predicted 3D structure and the Corresponding Crystal Structure


Secondary Structure Prediction

Novel secondary structure prediction algorithm based on the f and y values of main chain atoms

This algorithm shows the high precision in the known algorithms (e.g., Chou-Fasman and neural network algorithms, etc.).


Example of the Secondary Structure Prediction


Example of the Secondary Structure Prediction


Reported at November 2002.


The Homology Modeling Professional module program in Homology Modeling Professional for HyperChem software carries this secondary structure prediction algorithm and the ab initio 3D modeling algorithm.



Site Map 

Copyright (C) 2003-2020 Institute of Molecular Function. All Rights Reserved.