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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.
Open Bioinformatics Foundation. BioPHP. PHP language toolkit with classes for DNA and protein sequence analysis, alignment, database parsing, and other bioinformatics tools. Cross-platform. GPL v2. Open Bioinformatics Foundation. Biopython. Python language toolkit. Cross-platform.
trRosetta is an algorithm for fast and accurate protein structure prediction. It supports single-sequence structure prediction with trRosettaX-Single. C-QUARK is a method for ab initio protein structure prediction. Based on deep-learning based contact-map predictions into the fragment assembly simulations.
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.
Pathogenomics is a field which uses high-throughput screening technology and bioinformatics to study encoded microbe resistance, as well as virulence factors (VFs), which enable a microorganism to infect a host and possibly cause disease.
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.
Comparison of nucleic acid simulation software. This is a list of notable computer programs that are used for nucleic acids simulations. Min – Optimization. MD – Molecular dynamics. MC – Monte Carlo. REM – Replica exchange method. Crt – Cartesian coordinates. Int – Internal coordinates. Exp – Explicit water.
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.