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fold.it download page Archived 2011-04-04 at the Wayback Machine: FoldX: I Yes Yes No No No No No No Energy calculations, protein design Proprietary, commercial or gratis CRG: GROMACS: No No Yes Yes No [2] Yes I Yes [3] Yes High performance MD Free open source GNU GPL: gromacs.org: GROMOS: No No Yes Yes Yes Yes Yes Yes Yes Intended for biomolecules
2 QuanPol is a full spectrum and seamless (HF, MCSCF, GVB, MP2, DFT, TDDFT, CHARMM, AMBER, OPLSAA) QM/MM package integrated in GAMESS-US. [ 8 ] 10 Through CRYSCOR Archived 2019-12-26 at the Wayback Machine program.
Linux, Windows: Agros2D: Multiplatform open source application for the solution of physical problems based on the Hermes library: University of West Bohemia: 3.2: 2014-03-03: GNU GPL: Free: Linux, Windows: CalculiX: It is an Open Source FEA project. The solver uses a partially compatible ABAQUS file format. The pre/post-processor generates ...
Gaussian / ˈ ɡ aʊ s i ə n / is a general purpose computational chemistry software package initially released in 1970 by John Pople [1] [2] and his research group at Carnegie Mellon University as Gaussian 70. [3]
Learn how to download and install or uninstall the Desktop Gold software and if your computer meets the system requirements.
As of 2024, the latest release from PTC is Mathcad Prime 10.0.0.0. This release is a freemium variant: if the software is not activated after a Mathcad Prime 30-day trial, it is possible to continue using PTC Mathcad Express for an unlimited time as "PTC Mathcad Express Free-for-Life Engineering Calculations Software". This freemium pilot is a ...
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Another use is in the therapeutic drug monitoring of drugs with a narrow therapeutic index. For example, gentamicin is an antibiotic that can be nephrotoxic (kidney damaging) and ototoxic (hearing damaging); measurement of gentamicin through concentrations in a patient's plasma and calculation of the AUC is used to guide the dosage of this drug ...