- Source: Molecular design software
- Perakit molekuler
- Kimia komputasi
- Simulasi komputer
- Albert Einstein
- Kimia kombinatorial
- Daftar proyek komputasi terdistribusi
- Isidor Isaac Rabi
- Molecular design software
- Comparison of software for molecular mechanics modeling
- Computer-aided design
- Cadence Design Systems
- List of protein structure prediction software
- List of quantum chemistry and solid-state physics software
- Docking (molecular)
- Avogadro (software)
- List of computer-assisted organic synthesis software
- Molecular geometry
Molecular design software is notable software for molecular modeling, that provides special support for developing molecular models de novo.
In contrast to the usual molecular modeling programs, such as for molecular dynamics and quantum chemistry, such software directly supports the aspects related to constructing molecular models, including:
Molecular graphics
interactive molecular drawing and conformational editing
building polymeric molecules, crystals, and solvated systems
partial charges development
geometry optimization
support for the different aspects of force field development
Comparison of software covering the major aspects of molecular design
Notes and references
See also
External links
molecular design IUPAC term definition.
Journal of Computer-Aided Molecular Design
Molecular Modeling resources
Materials modelling and computer simulation codes
Click2Drug.org Directory of in silico (computer-aided) drug design tools.
Journal of Chemical Information and Modeling
Journal of Computational Chemistry