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Chemical Modelling: Applications and Theory
Website of the journal Chemical Modelling: Applications and Theory. [Detailed information]
Journal of Molecular Graphics
Website of the journal Journal of Molecular Graphics. [Detailed information]
Journal of Molecular Graphics and Modelling
Website of the Journal of Molecular Graphics and Modelling. [Detailed information]
Journal of Molecular Modeling
Website of the Journal of Molecular Modeling. [Detailed information]
Atomic Reference Data for Electronic Structure Calculations
This database provided by the National Institute of Standards and Technology (NIST) contains total energies and orbital eigenvalues for the atoms hydrogen through uranium, as computed in several standard variants of density-functional theory. Data have been ge... [Detailed information]
NIST Computational Chemistry Comparison and Benchmark Database (CCCBDB)
The NIST Computational Chemistry Comparison and Benchmark Database is a collection of experimental and ab initio thermochemical properties for a selected set of molecules. The goals of the collection are 1) to provide a benchmark set of molecules for the eval... [Detailed information]
ArgusLab: A molecular modeling, graphics, and drug design program
ArgusLab is visualization and calculation software for simulation of biological systems and their interaction with external substances such as a drug molecule or an allosteric group. In this software you can use docking engines like GADock, ArgusDock and the A... [Detailed information]
TINKER - Software Tools for Molecular Design
The TINKER molecular modelling software is a general package for molecular mechanics and dynamics, with some special features for biopolymers. TINKER has the ability to use any of several common parameter sets, such as Amber (ff94, ff96, ff98 and ff99), CHARMM... [Detailed information]
VMD: Visual Molecular Dynamics
VMD is a molecular visualization program for displaying, animating, and analyzing large biomolecular systems using 3-D graphics and built-in scripting. VMD provides the ability to render molecular scenes using external programs such as ray tracers and commerci... [Detailed information]
Fakultät 2: Biologie/Chemie/Geowissenschaften - Chemie,Anorganische Chemie I, Universität Bayreuth
Workgroup Josef Breu, Fakultät 2: Biologie/Chemie/Geowissenschaften - Chemie,Anorganische Chemie I, Universität Bayreuth, Bayreuth (link to research guide of the GDCh)
Fakultät für Georessourcen und Materialtechnik,Lehr- und Forschungsgebiet Modellbildung in der Werkstofftechnik, RWTH Aachen
Workgroup Heike Emmerich, Fakultät für Georessourcen und Materialtechnik,Lehr- und Forschungsgebiet Modellbildung in der Werkstofftechnik, RWTH Aachen, Aachen (link to research guide of the GDCh)
Fakultät für Geowissenschaften,Institut für Geologie, Mineralogie und Geophysik, Ruhr-Universität Bochum
Workgroup Hermann Gies, Fakultät für Geowissenschaften,Institut für Geologie, Mineralogie und Geophysik, Ruhr-Universität Bochum, Bochum (link to research guide of the GDCh)
Fakultät für Mathematik, Informatik und Naturwissenschaften - Fachgruppe Chemie,Institut für Physikalische Chemie, RWTH Aachen
Workgroup Andreas Dölle, Fakultät für Mathematik, Informatik und Naturwissenschaften - Fachgruppe Chemie,Institut für Physikalische Chemie, RWTH Aachen, Aachen (link to research guide of the GDCh)
Mathematisch-Naturwissenschaftliche Fakultät - Fachgruppe Pharmazie,Pharmazeutische Chemie I, Rheinische Friedrich-Wilhelms-Universität Bonn
Workgroup Michael Gütschow, Mathematisch-Naturwissenschaftliche Fakultät - Fachgruppe Pharmazie,Pharmazeutische Chemie I, Rheinische Friedrich-Wilhelms-Universität Bonn, Bonn (link to research guide of the GDCh)
Glactone
The Glactone website provides instructional resources for students and instructors of chemistry and biochemistry. The content of the website is divided into several sections from which Molecular Modeling and Pedagogical PDBs are of most in... [Detailed information]
Mol4D, Molecules in four dimensions
The web site Mol4D Molecules in four Dimensions describes several topics from general and organic chemistry using 3D animations. This website consists of two parts: Tutorial and Editor. The Tutorial part deals with 3D models of mole... [Detailed information]
Molecular Modelling for Organic Chemistry
The website of Molecular Modelling for Organic Chemistry offers descriptions of different methods in molecular modelling and their use in organic chemistry. Each topic provides interactive and 3D dimensional examples using Java applets. The described methods a... [Detailed information]
