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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.
Automated webserver and some downloadable programs. RaptorX. remote homology detection, protein 3D modeling, binding site prediction. Automated webserver and Downloadable program. Biskit. wraps external programs into automated workflow. BLAST search, T-Coffee alignment, and MODELLER construction. ESyPred3D.
Manual Curation. 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. The database has been maintained by researchers at Rothamsted Research and external collaborators since 2005.
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 ...
PLOS Pathogens. PLOS Pathog. 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.
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.
SEA-PHAGES is a two-semester undergraduate research program administered by the University of Pittsburgh's Graham Hatfull 's group and the Howard Hughes Medical Institute's Science Education Division. Students from over 100 universities nationwide engage in authentic individual research that includes a wet-bench laboratory and a bioinformatics ...
Homology modeling, also known as comparative modeling of protein, refers to constructing an atomic-resolution model of the " target " protein from its amino acid sequence and an experimental three-dimensional structure of a related homologous protein (the " template "). Homology modeling relies on the identification of one or more known protein ...
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