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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. Biomolecular simulations, protein folding. Commercial version with multiple graphical front ends is sold by BIOVIA (as CHARMm), formerly Accelrys. Chemical reaction kinetics.
The Pathogen-Host Interactions database ( PHI-base) [1] is a biological database that contains manually curated information on genes experimentally proven to affect the outcome of pathogen-host interactions.
Mathematical models can project how infectious diseases progress to show the likely outcome of an epidemic (including in plants) and help inform public health and plant health interventions. Models use basic assumptions or collected statistics along with mathematics to find parameters for various infectious diseases and use those parameters to calculate the effects of different interventions ...
List of COVID-19 simulation models. 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 ...
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 ...
Disease X is a placeholder name that was adopted by the World Health Organization (WHO) in February 2018 on their shortlist of blueprint priority diseases to represent a hypothetical, unknown pathogen that could cause a future epidemic.
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.
Molecular design software is notable software for molecular modeling, that provides special support for developing molecular models de novo . In contrast to the usual molecular modeling programs, such as for molecular dynamics and quantum chemistry, such software directly supports the aspects related to constructing molecular models, including ...
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