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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.
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.
Open Bioinformatics Foundation. BioPHP. PHP language toolkit with classes for DNA and protein sequence analysis, alignment, database parsing, and other bioinformatics tools. Cross-platform. GPL v2. Open Bioinformatics Foundation. Biopython. Python language toolkit. Cross-platform.
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.
A program to predict lowest free energy structures and base pair probabilities for RNA or DNA sequences. Programs are also available to predict maximum expected accuracy structures and these can include pseudoknots. Structure prediction can be constrained using experimental data, including SHAPE, enzymatic cleavage, and chemical modification ...
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 ...
Abalone. Abalone is a general purpose molecular dynamics and molecular graphics program for simulations of bio-molecules in a periodic boundary conditions in explicit ( flexible SPC water model [1]) or in implicit water models. [2] Mainly designed to simulate the protein folding and DNA - ligand complexes in AMBER force field .
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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