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Related Experiment Video

Updated: Mar 7, 2026

Modeling an Enzyme Active Site using Molecular Visualization Freeware

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Published on: December 25, 2021

Modelface: an Application Programming Interface (API) for Homology Modeling Studies Using Modeller Software.

Amirhossein Sakhteman¹, Bijan Zare²

¹Department of Medicinal Chemistry, School of Pharmacy, Shiraz University of Medical Sciences, Shiraz, Iran. ; Medicinal and Natural Products Chemistry Research Center, Shiraz University of Medical Sciences Shiraz, Iran.

Iranian Journal of Pharmaceutical Research : IJPR

|March 1, 2017

Summary

Modelface is a free, interactive application for Modeller software that automates homology modeling steps. It also supports energy calculations, mutations, and PDB repair for molecular modeling studies.

Keywords:

Application Programming interface Batch scripting Homology modeling Missing atom types Single point mutation

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Area of Science:

Computational Biology
Structural Bioinformatics
Molecular Modeling

Background:

Homology modeling is crucial for predicting protein structures.
Existing tools may lack comprehensive functionality or user-friendliness.
Modeller software is a powerful platform for protein modeling.

Purpose of the Study:

To present Modelface, an interactive application for Modeller.
To provide a user-friendly interface for homology modeling workflows.
To integrate essential molecular modeling tools into a single application.

Main Methods:

Developed Modelface as a Windows-based application.
Integrated PDB to FASTA generation, Clustal alignment, and model building.
Included loop refinement, energy calculations, minimization, and single point mutations.
Implemented PDB structure repair for missing atom types.

Main Results:

Modelface successfully automates key homology modeling steps.
The application supports advanced molecular modeling tasks like docking and simulations.
Modelface is a free, memory-efficient batch application for academic use.
Successful modeling studies using Modelface were reported.

Conclusions:

Modelface enhances the usability of Modeller for homology modeling.
The application facilitates various molecular modeling studies.
Modelface offers a valuable, cost-free resource for researchers.