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Science, engineering, and mathematics — biology, chemistry, physics, astronomy, earth sciences, social sciences, and technology research. A curated gateway to academic and professional scientific resources.
57129 resources
A parallel program for molecular dynamics simulations of biomolecules.
Forum for 3D macromolecular structure determination. Includes links to other Biosci/Bionet newsgroups, maintained at Indiana University, Bloomington.
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.
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.
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.
It is a distributed computing project which studies protein folding, misfolding, aggregation, and related diseases.
(Yet Another Scientific Artificial Reality Application) is an interactive real-time molecular dynamics program.
Visualization of physico-chemical structures in VML, from research at the Universities of Stuttgart and Erlangen in Nürnberg, Germany.
Graphical user interface to suites of molecular modeling tools, providing an integrated environment for engineering applications. Contacts for the group at Washington University School of Medicine in Saint Louis, Missouri.
Protein structure analysis software for Linux, SGI/IRIX, Windows NT. Performs mutant prediction, structure verification, homology modeling and molecular visualization. Links to the documentation in HTML. Commercial software.
A molecular dynamics package primarily designed for biomolecular systems such as proteins and lipids. It is a free software.
Graph theoretic methods for the analysis of structural relationships in biological macromolecules.
Used to visualize three dimensional structure of macromolecules, using protein data bank format for atom coordinates.
Program for bio-molecular modeling, particularly for molecular graphics and dynamics with implicit and explicit water models.
Program for creating molecular models, molecular mechanics simulations and development of the force fields by quantum chemical methods.