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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.
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.
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.
Molecular Operating Environment. Molecular Operating Environment (MOE) is a drug discovery software platform that integrates visualization, modeling and simulations, as well as methodology development, in one package. MOE scientific applications are used by biologists, medicinal chemists and computational chemists in pharmaceutical ...
Quantitative microbiological risk assessment [1] (QMRA) is the process of estimating the risk from exposure to microorganisms . The process involves measuring known microbial pathogens or indicators and running a Monte Carlo simulation to estimate the risk of transfer. [1] If a dose-response model is available for the microbe, it be used to ...
Modelling biological systems is a significant task of systems biology and mathematical biology. [a] Computational systems biology [b] [1] aims to develop and use efficient algorithms, data structures, visualization and communication tools with the goal of computer modelling of biological systems. It involves the use of computer simulations of ...
Visual Molecular Dynamics ( VMD) is a molecular modelling and visualization computer program. [2] VMD is developed mainly as a tool to view and analyze the results of molecular dynamics simulations. It also includes tools for working with volumetric data, sequence data, and arbitrary graphics objects. Molecular scenes can be exported to ...