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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.
SWISS-MODEL is a structural bioinformatics web-server dedicated to homology modeling of 3D protein structures. [1] [2] Homology modeling is currently the most accurate method to generate reliable three-dimensional protein structure models and is routinely used in many practical applications. Homology (or comparative) modelling methods make use ...
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 ...
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.
The 100K Pathogen Genome Project is a public-private collaborative project to sequence the genomes of 100,000 infectious microorganisms. The 100K Genome Project will provide a roadmap for developing tests to identify pathogens and trace their origins more quickly. Partners announced in the launch of the project were UC Davis, Agilent ...
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.
Eukaryotic Pathogen Database. The Eukaryotic Pathgen Database, or EuPathDB, is a database of bioinformatic and experimental data related to a variety of eukaryotic pathogens. It was established in 2006 under a National Institutes of Health program to create Bioinformatics Resource Centers to facilitate research on pathogens that may pose ...
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.