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X-plor Archives
Forum for 3D macromolecular structure determination. Includes links to other Biosci/Bionet newsgroups, maintained at Indiana University, Bloomington.
http://www.bio.net/hypermail/X-PLOR/
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NAMD
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.
http://www.ks.uiuc.edu/Research/namd/
Uiuc.edu ~
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AMMP
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.
http://www.cs.gsu.edu/~cscrwh/ammp/ammp.html
Gsu.edu ~
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EGO VIII
A program to perform molecular dynamics simulations on parallel as well as on sequential computers.
http://www.lrz-muenchen.de/~heller/ego/egointro.html
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B: On-line Molecular Modeling
"B" (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 an
http://www.scripps.edu/case/Biomer/
Scripps.edu ~
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AutoDock
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.
http://www.scripps.edu/pub/olson-web/doc/autodock/
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TINKER
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.
http://dasher.wustl.edu/tinker/
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Amber
A general purpose molecular mechanics and molecular dynamics package with the capability to compute free-energy changes.
http://amber.ch.ic.ac.uk/
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