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Associations (5)
Journals (15)
People (15)
Research Groups (48)
Structure and Image Repositories (5)
 
Electronic Structure (11)
Molecular Dynamics (13)
Molecular Mechanics (2)
Monte Carlo (3)

 

15 sites in Computational

CMM Save
Center for Molecular Modeling: Several tutorials related to molecular modeling, directory of software and links to databases.
http://cmm.info.nih.gov/modeling/   
Cambridge University Silicon Graphics Teaching Laboratory Save
An outline of a course in computational chemistry. Includes exercises in conformational search, molecular dynamics, visualization, and databases.
http://www.ch.cam.ac.uk/SGTL/   
Computational Chemistry Comparison and Benchmark Database Save
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.
http://srdata.nist.gov/cccbdb/Default...   
Computational Chemistry List Save
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
http://www.ccl.net/chemistry/   
Computational Chemistry Resources Save
Directory of links related to computational chemistry. Offers several tutorials for understanding the basics of molecular structure and molecular modeling techniques.
http://www.chem.swin.edu.au/chem_ref....   
Computational Chemistry and Organic Synthesis Save
A tutorial intended for experimental organic chemists, with emphasis on computational methods for locating and characterizing transition states.
http://www.cmbi.ru.nl/tutorials/chemi...   
Doubly Nudged Elastic Band Method Save
A framework for finding transition states based on the nudged elastic band method, balancing accuracy with efficiency.
http://www-wales.ch.cam.ac.uk/~sat39/...   
EPSRC National Service for Computational Chemistry Software Save
Provides software, specialist consultation, computing resources, and software training to support UK academics. Directions, staff, news, and publications.
http://www.nsccs.ac.uk/   
First Principles Research, Inc. Save
Research Theorists in Physics and Chemistry.
http://www.firstprinciples.com   
Intertek ASG Computational Chemistry Group Save
Services provided by the group include the calculation of molecular properties using computational chemistry, the management, analysis, visualisation and modelling of data, training, consultancy and problem solving.
http://www.intertek-cb.com/newsitetes...   
MatHub Save
Features current and background information about molecular modeling and informatics for chemistry and materials science.
http://www.mathub.com/   
MathMol Save
Provides students, teachers and researchers the basic concepts in mathematics and their connection to molecular modeling. Links to Software, 3D libraries and tutorials.
http://www.nyu.edu/pages/mathmol/   
Molecular Docking Web Save
Protein-ligand Docking, structures, bioinformatics, computational chemistry, and drug design resources.
http://www.scripps.edu/mb/olson/peopl...   
Molecular Modeling for Organic Chemistry Save
Summary of lecture course which aims to introduce the hierarchy of computational modeling methods used in Organic Chemistry. Links to background and supplemental information.
http://origin.ch.ic.ac.uk/local/organ...   

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