Netlib: a collection of mathematical software, papers, and databases.
FEniCS Project : a collection of free software with an extensive list of features for automated, efficient solution of differential equations.
PETSc: a software library for parallel solution of partial differential equations with the MPI standard for all message-passing communication.
MPI: Message-Passing Interface Standard
LAM (Local Area Multicomputer): an MPI programming environment and development system for heterogeneous computers on a network.
MGNet: A repository for information related to multigrid, multilevel, multiscale, aggregation, defect correction, and domain decomposition methods.
The Finite Element Circus
Midwest Numerical Analysis Day
TOP500 Supercomputer Sites Optimization
Computational Molecular Biology
CHARMM (Chemistry at HARvard Macromolecular Mechanics): A widely-used program package for large scale biomolecular potential energy minimization, molecular dynamics, normal modes and crystal optimizations. It can be used to simulations of proteins, nucleic acids and lipids.
A short introduction to molecular synamics simulations
DelPhi: Provides numerical solutions to the Poisson-Boltzmann equation (both linear and nonlinear form) for molecules of arbitrary shape and charge distribution.
PDB: Protein Data Bank, the single worldwide repository for the processing and distribution of 3-D biological macromolecular structure data (about 20,000 structures of proteins and nucleic acids.
VMD (Visual Molecular Dynamics): A molecular visualization program for displaying, animating, and analyzing biological systems such as proteins, nucleic acids, lipid bilayer assemblies, etc.
2003 Primer : Genomics and Its Impact on Medicine and Society
Dictionary of Genetic Terms
PubMed: a service of the National Library of Medicine, provides access to over 12 million MEDLINE citations back to the mid-1960’s and additional life science journals.
Annual Conference on Research in Computational Molecular Biology
ExPASy: SIB Bioinformatics Resource Portal.
Life Science Directory: This list contains almost exclusively pointers to information sources for life scientists with an interest in biological macromolecules.
Amino acid structure and properties: from U. Berlin. Includes 3-D interactive models. Mathematical Organizations