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2. Tinker (software) - Wikipedia

   en.wikipedia.org/wiki/Tinker_(software)

   Tinker, previously stylized as TINKER, is a suite of computer software applications for molecular dynamics simulation. The codes provide a complete and general set of tools for molecular mechanics and molecular dynamics, with some special features for biomolecules. The core of the software is a modular set of callable routines which allow ...

3. Comparison of software for molecular mechanics modeling

   en.wikipedia.org/wiki/Comparison_of_software_for...

   High performance GPU-accelerated ab initio molecular dynamics and TD/DFT software package for very large molecular or even nanoscale systems. Runs on NVIDIA GPUs and 64-bit Linux, has heavily optimized CUDA code. Proprietary, trial licenses available PetaChem LLC: TINKER: I Yes Yes Yes Yes I I Yes Yes Software tools for molecular design-Tinker ...

4. List of open-source bioinformatics software - Wikipedia

   en.wikipedia.org/wiki/List_of_open-source...

   Apache Software Foundation, myGrid: Ascalaph Designer: Computer program for general purpose molecular modelling for molecular design and simulations. Windows: GPLv2: Agile Molecule AutoDock: Suite of automated docking tools Linux, Mac OS X, SGI IRIX, and Windows: GPL: Scripps Research: Avogadro

5. Comparison of nucleic acid simulation software - Wikipedia

   en.wikipedia.org/wiki/Comparison_of_nucleic_acid...

   List of molecular graphics systems; List of protein structure prediction software; List of sequence alignment software; List of gene prediction software; List of RNA structure prediction software; Comparison of software for molecular mechanics modeling; List of software for Monte Carlo molecular modeling; List of software for nanostructures ...

6. Molecular Modelling Toolkit - Wikipedia

   en.wikipedia.org/wiki/Molecular_Modelling_Toolkit

   The Molecular Modeling Toolkit is a library that implements common molecular simulation techniques, with an emphasis on biomolecular simulations. It uses modern software engineering techniques (object-oriented design, a high-level language) in order to overcome limitations associated with the large monolithic simulation programs that are ...

7. Molecular design software - Wikipedia

   en.wikipedia.org/wiki/Molecular_design_software

   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:

8. Comparison of force-field implementations - Wikipedia

   en.wikipedia.org/wiki/Comparison_of_force-field...

   Tinker: UA, AA, AA/L 94, 96, 98, 99 19, 27 No 94 No No ... Comparison of software for molecular mechanics modeling; Molecular modeling on GPU; References

9. List of software for Monte Carlo molecular modeling - Wikipedia

   en.wikipedia.org/wiki/List_of_software_for_Monte...

   This is a list of computer programs that use Monte Carlo methods for molecular modeling. Abalone classical Hybrid MC; BOSS classical; CASINO quantum [1] Cassandra classical [2] CP2K; FEASST classical [3] GOMC classical [4] Internal_Coordinate_Mechanics ICM by MolSoft classical [5] MacroModel classical; Materials Studio classical; ms2 [6] [7] [8 ...