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Comparison of software for molecular mechanics modeling. This is a list of computer programs that are predominantly used for molecular mechanics calculations. GPU – GPU accelerated. I – Has interface. Imp – Implicit water. MC – Monte Carlo. MD – Molecular dynamics. Min – Optimization. QM – Quantum mechanics.
Constituent amino-acids can be analyzed to predict secondary, tertiary and quaternary protein structure. This list of protein structure prediction software summarizes notable used software tools in protein structure prediction, including homology modeling, protein threading, ab initio methods, secondary structure prediction, and transmembrane helix and signal peptide prediction.
Infectious disease dynamics. Mathematical models need to integrate the increasing volume of data being generated on host - pathogen interactions. Many theoretical studies of the population dynamics, structure and evolution of infectious diseases of plants and animals, including humans, are concerned with this problem.
BioWatch is a United States federal government program to detect the release of pathogens into the air as part of a terrorist attack on major American cities. Reportedly operating in Philadelphia, New York City, Washington, DC, San Diego, Boston, Chicago, San Francisco, Atlanta, St. Louis, Houston, Los Angeles and 21 other cities, the BioWatch program was created in 2001 in response to the ...
COVID-19 simulation models are mathematical infectious disease models for the spread of COVID-19. [1] The list should not be confused with COVID-19 apps used mainly for digital contact tracing . Note that some of the applications listed are website-only models or simulators, and some of those rely on (or use) real-time data from other sources.
Computer-assisted organic synthesis software is a type of application software used in organic chemistry in tandem with computational chemistry to help facilitate the tasks of designing, predicting, and producing chemical reactions. CAOS aims to identify a series of chemical reactions which, from a starting compound, can produce a desired molecule.
Agent Based Modeling Toolkit Comparison. No programming skills required. An adaptive form of genetic programming is used to create trading rules. Users can select functions to be used in the genetic programming engine. Agent-based general purpose; also supports discrete event and system dynamics simulations.
iBioSim [5] [6] is a computer-aided design (CAD) tool for the modeling, analysis, and design of genetic circuits. GUI/Scripting tool [7] for building and simulating multicellular models. Yes, but only for reactions. GUI tool [8] [9] for analyzing and simulating SBML models.