21. Molecular Modeling Lernsystem Molecular Modeling der Arbeitsgruppe von Prof. Dr. Rainer Herges am Institut f r Organische Chemie der Universit t Kiel. http://scholle.oc.uni-kiel.de/herges/modeling/gliederung.html

Lernsystem Molecular Modeling START DOWNLOAD Download der Datei "Modeling.zip" (s.o.) Entpacken der Datei in ein beliebiges Verzeichnis Starten der entpackten Datei "index.htm" Alternative Version START Autoren: Lehrveranstaltung: Vorlesung Molecular Modeling Erstelldatum: seit Oktober 1998 Erstellt im Rahmen des BMBF-Leitprojekts "Vernetztes Studium - Chemie" sponsored by

22. Molecular Modeling Factsheet NCBI creates public databases, conducts research in computational biology, develops software tools for analyzing genome data, and disseminates biomedical information http://www.ncbi.nlm.nih.gov/About/primer/molecularmod.html

National Center for Biotechnology Information About NCBI NCBI at a Glance A Science Primer Databases and Tools ... Site Map Science Primer: Bioinformatics Genome Mapping SNPs ESTs ... Phylogenetics Just the Facts: A Basic Introduction to the Science Underlying NCBI Resources MOLECULAR MODELING: A METHOD FOR UNRAVELING PROTEIN STRUCTURE AND FUNCTION Proteins form our bodies and help direct its many systems. Proteins are fundamental components of all living cells. They exhibit an enormous amount of chemical and structural diversity, enabling them to carry out an extraordinarily diverse range of biological functions. Proteins help us digest our food, fight infections, control body chemistry, and in general, keep our bodies functioning smoothly. Scientists know that the critical feature of a protein is its ability to adopt the right shape for carrying out a particular function. But sometimes a protein twists into the wrong shape or has a missing part, preventing it from doing its job. Many diseases, such as Alzheimer's and "mad cow", are now known to result from proteins that have adopted an incorrect structure. Identifying a protein's shape, or

23. Molecular Modeling Software Software for molecular modeling. Molecular design. Molecular Dynamics simulations (DNA, proteins, water, liquids, solids, gases) and Quantum chemistry with PC GAMESS/Firefly http://www.biomolecular-modeling.com/Products.html

Home Products Gallery Download ... Molecular modeling with Ascalaph Ascalaph is a general purpose molecular modeling suite that performs quantum mechanics calculations for initial molecular model development, molecular mechanics and dynamics simulations in the gas or in condensed phase. It can interact with external molecular modeling packages ( MDynaMix NWChem and PC GAMESS/Firefly Learn more about Ascalaph Packages Download ... Biomolecular simulations with Abalone Abalone is designed for macromolecular simulations (proteins, DNA). It supports both explicit and implicit solvent models. In contrast to Ascalaph, Abalone includes only methods for molecular mechanics modeling of macromolecules; it is easy to install; and it requires no external programs. Learn more about Abalone Tutor Purchase Projects: Abalone Tutor Manual Ascalaph ... Site map var MerchantID = 'AGILEM'

24. TINKER Molecular Modeling Package Complete and general package for molecular mechanics and dynamics, with some special features for biopolymers. http://dasher.wustl.edu/tinker/

TINKER Home Page TINKER - Software Tools for Molecular Design Current Major Version: TINKER 5.1 Major Release Date: February 2010 Minor Revision: 5.1.09 on August 24, 2010 Introduction The TINKER molecular modeling software is a complete and 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, ff99, ff99SB), CHARMM (19, 22, 22CMAP), Allinger MM (MM2-1991 and MM3-2000), OPLS (OPLS-UA, OPLS-AA), Merck Molecular Force Field (MMFF), Liam Dang's polarizable potentials, and our own AMOEBA polarizable atomic multipole force field. Parameter sets for other standard force fields such as GROMOS, UFF, ENCAD and MM4 are under consideration for future releases. Current Release TINKER 5 is a major new release of the Ponder Lab tool set for molecular mechanics and dynamics calculations. Changes from the previous TINKER version include many new and updated force field parameter sets, and numerous minor additions and bug fixes, many of them suggested by users of the package. Please note that as with prior new releases, version 5 is neither backward nor forward compatible with earlier versions of TINKER. In particular, earlier versions of parameter files should not be used with TINKER 5 executables and vice versa. The current release contains an implementation of the Merck Molecular Force Field, MMFF. Since this model requires fairly extensive changes to our standard force field setup procedures, it is being distributed as an add-on feature for TINKER 5. Directions for building MMFF capable executables are provided in the /MMFF area of the source distribution. A separate MMFF package, containing an extensive validation suite is available as a separate download.

25. Molecular Library Library of 3D Molecular Structures. If you are using CosmoPlayer click on the above image of a water dimer About the Database To enter the library, click on the appropiate http://www.nyu.edu/pages/mathmol/library/

Water and Ice Carbon Hydrocarbons Amino Acids ... Drugs Library of 3-D Molecular Structures If you are using CosmoPlayer click on the above image of a water dimer About the Database To enter the library, click on the appropiate buttons below. Links to Other Molecular Databases Java Applets of Molecules this database contains links to Java Applets for a large number of molecules. No plug-in or software is needed if your computer is java enabled. World of Molecules contains text information along with images. Chemistry at Okanagan University College Molecular database without transition elements These files were made with the atom's coordinates to respect the experimental values. So, these files permit the illustration of classical geometries learnt in the VSEPR method. The 3-D Structure of Minerals IMB Jena Image Library of Biological Molecules -Includes VRML images Amino Acids NIH (NCI) Drug Information Has over 400,000 structures

26. Molecular Modeling Latest Technology for Undergraduates. In April 1996, the National Science Foundation (NSF) awarded Winthrop’s Department of Chemistry and Physics a $59,542 grant to establish http://bohr.winthrop.edu/computational.html

Latest Technology for Undergraduates In April 1996, the National Science Foundation (NSF) awarded Winthrop’s Department of Chemistry and Physics a $59,542 grant to establish a computer-based molecular modeling program. While the hardware and software have changed since that time, Winthrop chemistry students in General Chemistry, Organic Chemistry, Inorganic Chemistry, Physical Chemistry, Biochemistry and Computational Chemistry continue to gain hands-on experience with modern molecular modeling techniques developed and extensively used by pharmaceutical and other industries. NSF support for this program established Winthrop University as a center of excellence for undergraduate molecular modeling education. The Molecular Modeling Lab housed in the Sims Science Building includes: Eight Dell Precision T7400 Workstations (Dual Quad Core Xeon Proc, 3.2 GHz, DVI graphics card with dual 21” flat panel monitors running Red Hat Enterprise Linux) A high performance, parallel computing Linux cluster (eight Dell Optiplex 745 hosts with Intel Core 2 Duo, 2.4 GHz CPUs – http://wopr.winthrop.edu

27. Computational Chemistry And Molecular Modeling Provides molecular modelling services for chemists, including computer graphics of molecules, and animated displays of chemical simulations. (English, German) http://www.comchem.de/

Home deutsch english deutsch ... Links modeling, modelling, computer, computational, chemistry, render, molecule, molecular, pictures, animation, picture, 3D, animations, VRML, pdb, Molekülbilder, Molekuelbilder, Bilder, Modell, Modelle, Molekuelmodelle, Molekülmodelle, Molekülmodell, Molekuelmodell, Molekuel, molekuel, Molekül, molekül, 3 D, räumlich, raeumlich, struktur, structure, Strukturen, Struktur, strukturen, Molekuelstruktur, molekuelstrukturen, Molekülstrukturen, molekülstrukturen, molecular, structures, organisch, organische, Chemie, chemie, chemistry, Chemistry, anorganische, Anorganische, Bio, bio, Computerbilder, Computergrafik, inorganic, organic, semi, empirisch, empirical, DFT, dft, abinitio, ab initio, Kraftfeld, Geometrie, optimierung, optimize, Computergrafik Service fuer Computerchemie - Molekuelbilder und Animationen. - Computational chemistry and molecular modelling service, Molekülbilder, Computergrafik, Art, chemical, molecular modeling, chemische Struktur

28. Chemistry Molecular Models Chemistry Molecular Models This page is maintained by Dr. Tom Zamis. Please email any comments http://www.uwsp.edu/chemistry/pdbs/

jmolInitialize(".") jmolApplet([160, 220], "load biochemistry/peptides_proteins/chymotrypsin.pdb; spin") Chemistry Molecular Models This page is maintained by Dr. Tom Zamis. Please email any comments: jmolApplet([160, 220], "load biochemistry/nucleic_acids/bdna.pdb; spin") All of the files on this molecular models page contain chemical structure files in PDB (Protein Data Bank) format. They may be displayed in 3D by a plug-in developed by MDL Information Systems Inc. called Chemscape Chime. Compatible browsers and plug-in installation may be found at this link . These files may be saved locally and displayed outside of a browser with a program called RasMol or another for Mac users called iMol . In addition, the cross-platform Java Viewer, Jmol , may be used to display the files locally or in web pages. Click on the highlighted text in this paragraph for more information about these applications. Many of the structure files appearing in this collection were obtained from other structures collections. Please visit these sites for additional structures. Klotho: Biochemical Compounds Declarative Database Smells Database - California, Berkeley

29. Molecular Modeling Molecular modeling a popular description http://www.man.poznan.pl/~bielecki/mmen.htm

Molecular modeling In my opinion molecular modeling is a discipline at the borderland of science, technology and arts. Molecular modeling consists in creating Later on, models were built from metal or plastic to assist our imagination in noticing features lost in two-dimensional sketches. A CPK (or close-packed sphere) model of the yeast phenylalanine tRNA molecule is shown on the left. It is represented on a flat screen but it resembles such plastic models. Unfortunately, plastic can simulate rather few features of a real molecule; in fact only its enlarged three-dimensional structure. Advancements in computer technology and development of molecular physics made it possible to create models which describe interactions between atoms and molecules. Therefore simulations of the behavior of real molecules on the grounds of physical laws are now feasible. Scientists can now create mathematical systems (so-called force field algorithms) which reproduce the interactions between various types of atoms found in nature. This is called molecular mechanics . Properties of small molecules can also be predicted using the quantum mechanics formulas. This approach provides more exact data but requires vast computational capacities.

30. Ilya Balabin Works on large-scale computational biochemistry and biophysics, bioinformatics, molecular modeling and design, and molecular machines at UIUC. http://www.ks.uiuc.edu/~ilya/

Ilya Balabin About Me Current position Research Scholar Department of Chemistry Duke University Durham, NC 27708-0349 Education Ph. D. in Physics, University of California, San Diego M. S. cum laude in Physics, Moscow State University, Russia Principal Research Interests I employ theory, modeling, and computer simulations to explore properties and function of biological systems. My research addresses a broad range of topics, including (but not limited to): Protein dynamics and function, broadly taken Allosteric regulation in biomolecular complexes Protein-ligand and protein-protein interactions Molecular recognition Signal transduction in cells Computer-aided drug design and screening Energy transduction in protein machines Biological charge transfer reactions Molecular electronics and biomolecular engineering Bioinformatics, large-scale data mining and analysis Development of novel methods and software Pathway dynamics in wild type azurin Balabin et al, in preparation Selected Publications Balabin et al, PNAS 2009

31. Free Molecular Modeling Software java applets, free software, interactive chemistry software, molecular modeling software http://www.edinformatics.com/mathmol/mm_software.htm

Today is WHAT IS MOLECULAR MODELING? WHY IS MOLECULAR MOLECULAR MODELING IMPORTANT? INTERACTIVE MOLECULES VIEW MOLECULES IN 3-D... USING JMOL APPLET Free Molecular Modeling Software Although designed for University level research, the following software packages are ideal to supplement high school and advanced middle school chemistry lessons. The software can also be used as a tool for student science projects. These are all ' free software programs ', although many require registration. DISCOVERY STUDIO VISUALIZER 2.5 Editors Choice This is the successor of WebLab Lite from Accelrys. WebLab Lite though is still available from some sites online. There are several advanced features on Discovery Studio Visualizer 2.0 including the ability to show ligand binding sites in proteins and create a surface around the ligand. CHIME RasMol RasMol is a molecular graphics program developed at the University of Edinburgh. The software is intended for the visualization of proteins, nucleic acids and small molecules. The program has the ability to read in PDB as well as several other formats. For more information on RasMol visit the

32. Jerome Baudry Applications of molecular modeling and computational chemistry to biophysics of large, integrated bio-systems. http://www.ks.uiuc.edu/~jerome/

Jerome Baudry Our research IN THE NEWS Present position: Materials on this site are Last modified: Fri Jun 17 14:51:29 CDT webserver@ks.uiuc.edu

33. Molecular Modeling: Information From Answers.com molecular modeling, the computer simulation, by various means, of chemical structures or processes. Special computergraphics programs can display three-dimensional images of http://www.answers.com/topic/molecular-modelling

34. Bioinformatics: Nucleotide And Protein Sequence Analysis, Molecular Models CFG Bioinformatics Services for the analysis of nucleotide and protein sequence data, and for molecular modeling of protein sequences http://www.cfgbiotech.com/bioinformatics/

Molecular Biology Bioinformatics Mouse Transgenesis Flow Cytometry Cell Sorting ... Home CFG Bioinformatics Services The CFG maintains a suite of software for the analysis of nucleotide and protein sequence data, and for molecular modeling of protein sequences. Both PC and Macintosh platforms are supported. Features include: GCG Wisconsin package with Grail Pro extension. This software package is hosted on a Sun Microsystems Sunfire server. Clustal W multiple DNA sequence alignment program Vector NTI Suite Sequencher DNA sequence analysis software Gene Construction Kit 2 DNA manipulation and illustration software MacVector DNA sequence analysis software To arrange for bioinformatics services, contact Hector Martinez by phone (518-591-7216) or e-mail: hmartine@albany.edu Pricing Please, contact us about pricing for Non-Academic institutions Service Unit Academic Bioinformatics Hour About Us CFG Advisory Board Services CFG Staff ... Microarray

35. BALL - Biochemical Algorithms Library — The BALL Website C++ framework for rapid software prototyping in molecular modeling. http://www.bioinf.uni-sb.de/OK/BALL/

36. NCBI Structure Group Home Page The Molecular Modeling Database (MMDB), as part of the Entrez system, facilitates access to structure data by connecting them with associated literature, protein and nucleic acid http://www.ncbi.nlm.nih.gov/Structure/index.shtml

NCBI Structure Home 3D Macromolecular Structures Conserved Domains Search All Databases NCBI Web Site PubMed Protein Nucleotide EST GSS Structure Genome BioSystems Books CancerChromosomes Conserved Domains Gene Genome Project dbGaP GENSAT GEO Profiles GEO Datasets HomoloGene Journals MeSH NLM Catalog OMIA OMIM PMC PopSet Probe Protein Clusters PubChem BioAssay PubChem Compound PubChem Substance SNP Taxonomy UniGene UniSTS for Help Resources for the Scientific Community The resources developed by the Structure Group of the NCBI Computational Biology Branch (CBB) are freely available to the public and focus on four areas: Macromolecular structures The three-dimensional structures of biomolecules provide a wealth of information on their biological function and evolutionary relationships. The Molecular Modeling Database (MMDB) , as part of the Entrez system, facilitates access to structure data by connecting them with associated literature, protein and nucleic acid sequences chemicals biomolecular interactions , and more. It is possible, for example, to find 3D structures for homologs of a protein of interest by following the " Related Structure " link in an Entrez Protein sequence record.

37. Biosiris - Your Partner In Molecular Modeling: Home Bioinformatics company specialising in molecular modeling. http://www.biosiris.com/index.php

38. Taylor & Francis Journals: Welcome Covers all aspects of research related to, or of importance to, molecular modelling and simulation, including informatics, theoretical and experimental work. http://www.tandf.co.uk/journals/titles/08927022.asp

Contact Us Careers Members of the Group All Products Books Journal Article eBooks Alphabetical Listing Journals by Subject New Journals Author Services ... Garland Science document.title = 'Molecular Simulation'; Journal Details Molecular Simulation 2009 Impact Factor: 1.028 (2010 Thomson Reuters, Journal Citation Reports) Journal of the ESCMSE Visit the organisation site Volume Number: 36 Frequency: 15 issues per year Print ISSN: 0892-7022 Online ISSN: 1029-0435 Subscribe Online Free Sample Copy Table of Contents Alerting View Full Pricing Details An international, multidisciplinary, academic journal Molecular Simulation covers all aspects of research related to, or of importance to, molecular modelling and simulation (including informatics, theoretical and experimental work). Molecular Simulation exists to bring together the most significant papers concerned with applications of simulation methods, and original contributions to the development of simulation methodology from biology and biochemistry, chemistry, chemical engineering, materials and nanomaterials, medicine, physics and information science. The aim is to provide a forum in which cross fertilization between application areas, methodologies, disciplines, as well as academic and industrial researchers can take place and new developments can be encouraged. Molecular Simulation is of interest to all researchers using or developing simulation methods (for example those based on statistical mechanics) and to those experimentalists, theorists and information scientists who wish to use simulation data or address a simulation audience.

39. Molecular Modeling Summer Research Program for Science Teachers/Partners in Science . Denice A. Gamper. Bishop Kearney High School, Brooklyn, NY. August 1998 . MOLECULAR MODELING ACTIVITY http://www.scienceteacherprogram.org/chemistry/Gamper98.html

Summer Research Program for Science Teachers/Partners in Science Denice A. Gamper Bishop Kearney High School, Brooklyn, NY August 1998 MOLECULAR MODELING ACTIVITY OVERVIEW: Molecules and polyatomic ions are not all flat structures. Each has a three dimensional shape that helps account for its various chemical and physical properties. Students often find it difficult to concretize the abstract concept of molecular geometry and that many molecules and polyatomic ions have a three-dimensional shape. For students to grasp this concept, it becomes necessary to introduce molecular modeling as a way to enable students to visualize that which they cannot see. This Action Plan is designed to introduce students to the concept of molecular modeling. Content Standard Unifying Concepts - Models] Students will learn how to generate three-dimensional images of some simple inorganic and organic molecules they encounter in their introductory chemistry class. They will accomplish this through the use of traditional molecular modeling kits as well as computer generated images downloaded from the internet . Teaching Standard D - Make accessible science tools] ACTION PLAN COMPONENTS: Cooperative learning activity Laboratory exercise Computer/internet activity Cooperative learning activity: OVERVIEW: The carbon atom is special in that each atom can form four bonds to other atoms. These can be single, double, or triple bonds. The multiple bonding of carbon allows it to form an unlimited number of compounds that vary in molecular complexity, size, and shape. The study of carbon and its compounds is called

40. Physics Of Sound Rigorous derivation of sound wave equations from a molecular model of an ideal diatomic gas. General solution of the wave equations. Point source radiating in a moving medium. http://www.physicsofsound.com/

Page 2     21-40 of 100    Back | 1  | 2  | 3  | 4  | 5  | Next 20