Simulation moléculaire /Logiciels/ /Publications/
Basics of Monte Carlo Simulations
Introduction to this stochastic technique. From University of Nebraska at Lincoln.Computational Chemistry and Organic Synthesis
Approaches to the transition state. From University of Nijmegen, The Netherlands.Computer Simulations
Course notes and demonstrations from Sharon Hammes-Schiffer, University of Notre Dame.Dave Young's Chemical Topics
Including beginner's guides to computational chemistry topics.Global Phase Diagrams
Text and diagrams from Universität zu Köln.Introduction to QSAR Methodology
Use of Quantitative Structure Activity Relationship in drug design. By Allen B. Richon.Periodic Table of Parameters
Element modeling parameters (ab initio basis sets, force fields, semiempirical parameterizations).Practical Exercises in Quantum Chemistry
From Eidgenössische Technische Hochschule, Zürich.
AMMP
Molecular mechanics and dynamics program for macromolecules.AM Technologies
Galaxy software provides conformational analysis of organic compounds.Biomolecular Structure and Modelling
Software collection provided by University College London.CHARMM
Determines potential energies of macromolecules. From Harvard University.ChemInnovation
Drawing, molecular modeling, and animation software.EduSoft
QSAR analysis, Molconn-Z. Binding affinities, HASL.Exorga
Designers of molecular modeling software.EyeChem
Molecular modeling software from Omer Casher, Imperial College.GAMESS
General Atomic and Molecular Electronic Structure System. Ab initio quantum chemistry software.Gaussian
Calculations for quantum chemistry. Software and teaching examples.Hypercube
Manufactures of HyperChem, a molecular modeling program.Interactive Simulations
Molecular design software, ChemBuilder3D and Sculpt.MacroModel
Calculates molecular energies and geometries. From W. Clark Still, Columbia University.Molden
Output of molecular densities from ab initio packages GAMESS and Gaussian.Molecular Simulations
Distributors of molecular modeling and molecular biology software.MolSoft
Structure prediction and three-dimensional analysis of proteins.Oxford Molecular
Molecular modeling tools and bio- and cheminformatics software.Ponder, Jay
Modeling tertiary structure of proteins. From Washington University School of Medicine.Princeton Simulations
Manufacturers of conformational search software.Q-Chem
Ab initio quantum chemistry software.SiliconGraphics
Molecular modeling, bioinformatics, available for SiliconGraphics systems.
Computers & Chemical Engineering
Systems technologies. Requires paid subscription.Computers & Chemistry
Computational methods. Requires paid subscription.Journal of Computational Chemistry
Abstracts and Tables of Contents.Journal of Molecular Modeling
Abstracts and Tables of Contents.Journal of Molecular Structure
Molecules and intermediates. Requires paid subscription.Journal of Molecular Structure: THEOCHEM
System theory and modeling. Requires paid subscription.MMCC Results
Molecular modeling and computational chemistry reviews. Requires paid subscription.Network Science
Full text articles in chemical information, combinatorial chemistry, computational chemistry.
Retour à la page d'acceuil du
Répertoire des sites chimiques