Tygrys.com - katalog stron : Science : Chemistry : Computational

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Znaleziono 12 stron w kategorii Computational:

Tytuł strony: Australian Computational Chemistry Via the Internet Project
Opis strony: A set of web-based teaching modules as well as links to related sites.
Adres: http://www.chem.swin.edu.au/

Tytuł strony: Cambridge University Silicon Graphics Teaching Laboratory
Opis strony: An outline of a course in computational chemistry. Includes exercises in conformational search, molecular dynamics, visualization, and databases.
Adres: http://www.ch.cam.ac.uk/cil/SGTL/

Tytuł strony: Centre for Molecular Modeling
Opis strony: Provides several tutorials related to molecular modeling, directory of software and links to databases.
Adres: http://cmm.info.nih.gov/modeling/

Tytuł strony: Computational Chemistry and Organic Synthesis
Opis strony: A tutorial intended for experimental organic chemists, with emphasis on computational methods for locating and characterizing transition states.
Adres: http://www.cmbi.ru.nl/tutorials/cheminf/mopac/comp.html

Tytuł strony: Computational Chemistry Comparison and Benchmark Database
Opis strony: 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.
Adres: http://srdata.nist.gov/cccbdb/Default.htm

Tytuł strony: Computational Chemistry List
Opis strony: 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
Adres: http://www.ccl.net/chemistry/

Tytuł strony: Doubly Nudged Elastic Band Method
Opis strony: A framework for finding transition states based on the nudged elastic band method, balancing accuracy with efficiency.
Adres: http://www.trygub.com/DNEBtests/

Tytuł strony: MathMol
Opis strony: Provides students, teachers and researchers the basic concepts in mathematics and their connection to molecular modeling. Links to Software, 3D libraries and tutorials.
Adres: http://www.nyu.edu/pages/mathmol/

Tytuł strony: MatHub
Opis strony: Features current and background information about molecular modeling and informatics for chemistry and materials science.
Adres: http://www.mathub.com/

Tytuł strony: Molecular Docking Web
Opis strony: Protein-ligand Docking, structures, bioinformatics, computational chemistry, and drug design resources.
Adres: http://www.scripps.edu/mb/olson/people/gmm/

Tytuł strony: Molecular Modeling for Organic Chemistry
Opis strony: Summary of lecture course which aims to introduce the hierarchy of computational modeling methods used in Organic Chemistry. Links to background and supplemental information.
Adres: http://www.ch.ic.ac.uk/local/organic/mod/

Tytuł strony: QSAR World
Opis strony: Includes brief introductions to concepts in Quantitative Structure Activity Relationship modeling as well as links to relevant literature
Adres: http://www.qsarworld.com/

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