- 3D PNP Solver - Provides a tool that solves Poisson-Nernst-Planck equations in 3D using finite difference method. Software can be downloaded as Matlab/Octave sources or used as a web service.
- Basis Set Exchange (BSE) - Provides a web-based user interface for downloading and uploading Gaussian-type basis sets, including effective core potentials.
- Cambridge University Silicon Graphics Teaching Laboratory - An outline of a course in computational chemistry. Includes exercises in conformational search, molecular dynamics, visualization, and databases.
- Centre for Molecular Modeling - Provides several tutorials related to molecular modeling, directory of software and links to databases.
- Chemical Aid - Periodic table, element information, glossary and tools.
- Computational Chemistry and Organic Synthesis - A tutorial intended for experimental organic chemists, with emphasis on computational methods for locating and characterizing transition states.
- Computational Chemistry Comparison and Benchmark Database - NIST database of small molecules with well established heat of formation, including results from many computational methods, including semiempirical and ab initio with various basis sets.
- Computational Chemistry List - A resource for computational chemists. Discussions on chemistry software, data, conferences, jobs, quantum chemistry, molecular mechanics, molecular dynamics, QSAR, molecular graphics, molecular modeling, and associated archives
- MathMol - Provides students, teachers and researchers the basic concepts in mathematics and their connection to molecular modeling. Links to Software, 3D libraries and tutorials.
- Molecular Docking Web - Protein-ligand Docking, structures, bioinformatics, computational chemistry, and drug design resources.
- Molecular Modeling for Organic Chemistry - Summary of lecture course which aims to introduce the hierarchy of computational modeling methods used in Organic Chemistry. Links to background and supplemental information.
- QSAR World - Includes brief introductions to concepts in Quantitative Structure Activity Relationship modeling as well as links to relevant literature
Last update: Jul 4, 2010 07:57:45. Phy.org is a private web site, powered by the Open Directory Project.
