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           09 May, 2024
 
    

Computational Chemistry

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Extensible Computational Chemistry Environment (Popularity: )
http://ecce.emsl.pnl.gov/
Graphical user interface for Linux/Solaris/IRIX with visualization tools and a data management framework for setting up, submitting, and analyzing computational chemistry calculations.
Category:   Science - Chemistry - Software - Physical and Theoretical

EPSRC National Service for Computational Chemistry Software (Popularity: )
http://www.nsccs.ac.uk/
Provides software, specialist consultation, computing resources, and software training to support UK academics. Directions, staff, news, and publications.
Category:   Science - Chemistry - Computational

Seascape Learning! (Popularity: )
http://www.seascapelearning.com
Seascape offers computational chemistry and biology software/services including molecular dynamics calculations.
Category:   Science - Chemistry - Computational - Molecular Dynamics

Cambridge Centre for Computational Chemistry (Popularity: )
http://www-theor.ch.cam.ac.uk/
Condensed matter science, surface science and statistical mechanics of complex and disordered systems.
Category:   Science - Chemistry - Computational - Research Groups

Cerep (Popularity: )
http://www.cerep.fr/
Provides services in pharmacology, in molecular biology and lead development, in toxicology, metabolism and bio-availability, in combinatorial chemistry, HTS, HTP, HTLD and computational chemistry.
Category:   Business - Biotechnology and Pharmaceuticals - Pharmaceuticals - Research and Development

Related: Computational - Computational And Artificial - Computational Sciences - Computational Neuroscience - Computational Modeling


Cerep (Popularity: )
http://www.cerep.fr/
Provides services in pharmacology, in molecular biology and lead development, in toxicology, metabolism and bio-availability, in combinatorial chemistry, HTS, HTP, HTLD and computational chemistry.
Category:   Business - Biotechnology and Pharmaceuticals - Pharmaceuticals - Outsourcing

Chemistry, Department of (Popularity: )
http://www.chem.ubc.ca
Undergraduate and graduate programs; research spans analytical, biological, environmental, inorganic, materials, organic, physical, and theoretical chemistry.
Category:   Reference - Education - Colleges and Universities - North America

Chemistry Department , University of British Columbia (Popularity: )
http://www.chem.ubc.ca/
Lists faculty, staff and research interests. Also gives information on undergraduate studies, including lists of programs and course outlines, and details of graduate studies including application information.
Category:   Science - Chemistry - Academic Departments - North America

PerlMol (Popularity: )
http://www.perlmol.org/
Free Perl modules for molecular chemistry. Tutorial, reference manual, downloads and mailing list.
Category:   Science - Chemistry - Software - Development

Department of Chemistry (Popularity: )
http://www.chem.psu.edu/
Programs in the core areas of chemistry: organic, inorganic, analytical, biological, and physical and graduate research in the interdisciplinary areas of: life sciences; materials; polymers; surface chemistry; computational chemistry and nanofabrication ...
Category:   Reference - Education - Colleges and Universities - North America

Chemistry Department (Popularity: )
http://chemistry.mtu.edu/
Provides a listing of faculty, course schedule, degree options, class pages, and facilities.
Category:   Reference - Education - Colleges and Universities - North America

Specs (Popularity: )
http://www.specs.net/
Diverse Screening Libraries (HTS), Targeted Libraries, Building Blocks, Natural Products, Cheminformatic Services, Compound Handling projects, Contract Research and Custom Synthesis.
Category:   Science - Instruments and Supplies - Laboratory Automation and Robotics

Washington University: Department of Biochemistry and Molecular Biophysics (Popularity: )
http://biochem.wustl.edu/
Graduate program, faculty, positions, postdocs, student resources, and publications.
Category:   Science - Biology - Biochemistry and Molecular Biology - Institutions

Jay Ponder Lab (Popularity: )
http://dasher.wustl.edu/
Graphical user interface to suites of molecular modeling tools, providing an integrated environment for engineering applications. Contacts for the group at Washington University School of Medicine in Saint Louis, Missouri.
Category:   Science - Biology - Biochemistry and Molecular Biology - Biomolecules

Seascape Learning (Popularity: )
http://www.seascapelearning.com/
Distributes structural bioinformatics software and educational material.
Category:   Science - Biology - Bioinformatics - Companies

Case, Fiona (Popularity: )
http://www.casescientific.com
Molecular modeling of surfactants and polymers with an industrial focus.
Category:   Science - Chemistry - Computational - People

Viewmol (Popularity: )
http://viewmol.sourceforge.net/
An open-source graphical front end for computational chemistry programs such as Gaussian, Gamess, and Mopac. Available for Linux, FreeBSD, Mac OS X, and other Unices.
Category:   Science - Chemistry - Software - Structural

CONFLEX2000 (Popularity: )
http://www.conflex.us/
Commercial conformational searching and analysis tools for Linux, Mac OS X, and Windows. Compatible w/CAChe, ChemOffice, and Amber. Screen shots, data sheet, ordering, and trial versions available.
Category:   Science - Chemistry - Software - Physical and Theoretical

MolySym, Inc. (Popularity: )
http://www.molysym.com/
Develops novel computer interface products to make the manipulation and simulation of molecular systems easy and intuitive. MolySym provides a unified software/hardware package for molecular modeling and computational chemistry.
Category:   Science - Chemistry - Software - Companies

World Scientific (Popularity: )
http://www.wspc.com/
Publisher of scientific books and journals in the Asia-Pacific region. On-line catalogue and ordering.
Category:   Business - Publishing and Printing - Publishing - Academic and Technical
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