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TopDir is a human edited web directory with various categories, a collection of hand-picked web resources for visitors

TopDir offers free website promotion for webmasters and website owners. Relevant search results and many categories for adding and promoting websites. Free web promotion for websites at TopDir directory. Submit your url for review. A collection of hand-picked web resources for visitors. This page is focused on one particular aspect of Science, Chemistry, Computational.

People (17)
Research Groups (47)
Structure and Image Repositories (5)

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Science: Chemistry: Software (224)

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Japanese (11) Spanish (3)

» Australian Computational Chemistry Via the Internet Project - A set of web-based teaching modules as well as links to related sites.

» 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.

http://www.cmbi.ru.nl/tutorials/cheminf/mopac/comp.html

» Computational Chemistry and Organic Synthesis - A tutorial intended for experimental organic chemists, with emphasis on computational methods for locating and characterizing transition states.

http://srdata.nist.gov/cccbdb/Default.htm

» 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

» Doubly Nudged Elastic Band Method - A framework for finding transition states based on the nudged elastic band method, balancing accuracy with efficiency.

» MathMol - Provides students, teachers and researchers the basic concepts in mathematics and their connection to molecular modeling. Links to Software, 3D libraries and tutorials.

» MatHub - Features current and background information about molecular modeling and informatics for chemistry and materials science.

http://www.scripps.edu/mb/olson/people/gmm/

» Molecular Docking Web - Protein-ligand Docking, structures, bioinformatics, computational chemistry, and drug design resources.

http://www.ch.ic.ac.uk/local/organic/mod/

» 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

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