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Molecular design software

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Title: Molecular design software  
Author: World Heritage Encyclopedia
Language: English
Subject: Computer-aided design, FoldX, YASARA, XMD, BOSS (molecular mechanics)
Collection: Computational Chemistry Software, Molecular Dynamics Software, Molecular Modelling Software, Science Software
Publisher: World Heritage Encyclopedia

Molecular design software

Molecular design software is software for molecular modeling, that provides special support for developing molecular models de novo.

In contrast to the usual molecular modeling programs such as the molecular dynamics and quantum chemistry programs, such software directly supports the aspects related to the construction of molecular models:

Comparative table of packages covering the major aspects of molecular design

3D - Molecular Graphics, Mouse - drawing molecule by mouse, Poly - polymer building, DNA - Nucleic acid building, Pept - Peptide building, Cryst - crystal building, Solv - solvent addition, Q - partial charges, Dock - docking, Min - optimization, MM - Molecular mechanics, QM

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