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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.
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.
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.
PLOS Pathogens is a peer-reviewed open-access medical journal. All content in PLOS Pathogens is published under the Creative Commons "by-attribution" license. PLOS Pathogens began operation in September 2005. It was the fifth journal of the Public Library of Science (PLOS), a non-profit open-access publisher.
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.
Physiologically based pharmacokinetic (PBPK) modeling is a mathematical modeling technique for predicting the absorption, distribution, metabolism and excretion (ADME) of synthetic or natural chemical substances in humans and other animal species. PBPK modeling is used in pharmaceutical research and drug development, and in health risk ...
In epidemiology, particularly in the discussion of infectious disease dynamics (modeling), the latent period (also known as the latency period or the pre-infectious period) is the time interval between when an individual or host is infected by a pathogen and when that individual becomes infectious, i.e. capable of transmitting pathogens to ...
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 ...