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Forum for 3D macromolecular structure determination. Includes links to other Biosci/Bionet newsgroups, maintained at Indiana University, Bloomington.
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A parallel, object-oriented molecular dynamics code designed for high-performance simulation of large biomolecular systems. NAMD is distributed free of charge and includes source code.
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Rapid Autonomous Fragment Test: interface to search library of known protein folds for automously folding units and subdomains.
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A free program suite for molecular mechanics, dynamics and modeling with some special features like docking or ab initio DFT calculations. Runs under Linux/Unix and Win9x. The site provides access to the documentation and offers on-line tutorials.
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A program to perform molecular dynamics simulations on parallel as well as on sequential computers.
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(formerly known as Biomer) is a Java-based molecular modeling program for small organic molecules and biopolymers. Supports nucleic acids (DNA/RNA), polypeptides, polysaccharides, the AMBER force field, geometry optimization, simulated annealing. Exports jpeg, gif, and ppm images.
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A suite of automated docking tools. It is designed to predict how small flexible molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.
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A free molecular modeling package for molecular mechanics and dynamics, with some special features for biopolymers. Distributed as source code and as binaries for Windows9x, Linux and Mac.
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It is a distributed computing project which studies protein folding, misfolding, aggregation, and related diseases.
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A general purpose molecular mechanics and molecular dynamics package with the capability to compute free-energy changes.
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(Yet Another Scientific Artificial Reality Application) is an interactive real-time molecular dynamics program.
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A parallel molecular dynamics simulation package.
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A parallel program for molecular dynamics simulations of biomolecules.
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Folding simulations for fusion peptides, proteins and RNA with aim of predicting structure from genome by research at Stanford University, California.
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Molecular structures are made visible, dependent on Chime scripts at the Faculty of Biology, University of Hamburg, Germany.
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Visualization of physico-chemical structures in VML, from research at the Universities of Stuttgart and Erlangen in NALrnberg, Germany.
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PSCAN, PMOL2Q, DBFILTER download page. Taichung, Taiwan.
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Downloads for Windows and Linux, to visualize three dimensional structure of macromolecules, using protein data bank format for atom coordinates, from ex-student at University of Manchester, England.
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Java applet to illustrate alpha-helices, using a traditional helical wheel. Output as Postscript, JPEG, GIF or PICT.
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Protein structure-function software in multiple modules, maintained at the University of Wisconsin, Madison.
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