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Molecular Modeling:     more books (100)

Molecular Modeling Basics by Jan H. Jensen, 2010-04-26 Molecular Modeling and Simulation: An Interdisciplinary Guide (Interdisciplinary Applied Mathematics) by Tamar Schlick, 2010-08-25 Molecular Modeling: Basic Principles and Applications by Hans-Dieter Höltje, Wolfgang Sippl, et all 2008-03-18 Molecular Modeling of Proteins (Methods in Molecular Biology) Molecular Modeling and Simulation by Tamar Schlick, 2002-08-19 Molecular Visions Organic Model Kit with Molecular Modeling Handbook by T. W. Graham Solomons, 1999-08-06 Modeling Dynamic Phenomena in Molecular and Cellular Biology by Lee A. Segel, 1984-03-30 Molecular Modeling in Heavy Hydrocarbon Conversions (Chemical Industries) by Michael T. Klein, Gang Hou, et all 2005-09-28 Introduction to Theoretical Organic Chemistry and Molecular Modeling by William B. Smith, 1996-03 Molecular Gas Dynamics: Theory, Techniques, and Applications (Modeling and Simulation in Science, Engineering and Technology) by Yoshio Sone, 2006-12-12 QSAR and Molecular Modeling Studies in Heterocyclic Drugs II (Topics in Heterocyclic Chemistry) (v. 2) Computational Chemistry and Molecular Modeling: Principles and Applications by K. I. Ramachandran, Gopakumar Deepa, et all 2010-11-30 Molecular Visions Organic Modeling Kit Molecular Modeling and Theory in Chemical Engineering, Volume 28 (Advances in Chemical Engineering) (Vol 28) by James Wei, Morton M. Denn, et all 2001-12-24

lists with details

1. Center For Molecular Modeling
   Center for molecular modeling Several tutorials related to molecular modeling, directory of software Category Science Chemistry Computational  
   http://cmm.info.nih.gov/modeling/

2. Accelrys - Formerly MSI
   Develops modeling and visualization software for researchers in materials science and the life sciences. Download trial versions. the combination of a number of leading names in the molecular modeling industry to be the leading company in the area.  
   http://www.msi.com/
   
   Extractions: Employment ... About Accelrys Molecular Simulations Inc. (MSI) was renamed Accelrys Inc. on June 1, 2001. Accelrys, the leader in simulation and informatics software for the pharmaceutical and chemicals process industries, was created from the combination of MSI, Oxford Molecular GCG , and Synopsys MSI was the leading provider of simulation and modeling tools for drug discovery and chemical development. For full details of our simulation and modeling products see: Founded in 1984, MSI grew through the combination of a number of leading names in the molecular modeling industry to be the leading company in the area. MSI incorporated companies including BioDesign, Biosym, Polygen, Cambridge Molecular Design, and BioCAD. Many of these companies emerged from, or developed close links with, leading Universities Harvard, Cambridge, York and the California Institute of Technology are examples. The company's product-line included the best-known names in modeling for drug discovery: Insight, QUANTA/CHARMm, and Cerius2 as well as the unique tools for materials science modeling in the Cerius2 software environment, now available within Materials Studio.

3. MathMol
   Instructional materials related to the use of molecular modeling in the undergraduate chemistry curriculum molecular modeling was introduced at Lebanon Valley College through support by the College and a $49 188 grant titled  
   http://www.nyu.edu/pages/mathmol

4. Journal Of Molecular Modeling
   German journal presents papers on computeraided modeling, using color, and 3D images. View the table of contents and abstracts. Journal of molecular modeling. Probably the most successful electronic journal in chemistry  
   http://www.ccc.uni-erlangen.de/jmolmod
   
   Extractions: Don't miss to have a look at our list of abstracts of published papers and feel free to get your personal copy of selected papers. The Journal of Molecular Modeling is the first journal in chemistry to offer network, print based and CD-ROM editions. The Journal is fully citeable with CAS-abstract, ISI-entry and ISSN (0948-5023). Dont't hesitate: here is your opportunity to compare three different presentation technologies and to get insight into the impact the WWW is going to have upon your daily scientific work. If you want to keep pace with leading edge research in the field of molecular modeling and experience the rapid development of scientific publishing the Journal of Molecular Modeling is a must for you.

5. Molecular Modeling Home Page
   Links to information on chemical structures, graphics, slide shows, and modeling experiments.  
   http://www.molecules.org/

6. NCBI Structure Group
   MMDB, the molecular modeling Database, contains experimentally determined biopolymer structures obtained from the  
   http://www.ncbi.nlm.nih.gov/Structure
   
   Extractions: The NCBI Structure Group .. maintains MMDB, a database of macromolecular 3D structures, as well as tools for their visualization and comparative analysis. MMDB, the Molecular Modeling Database, contains experimentally determined biopolymer structures obtained from the Protein Data Bank ( PDB Structure highlights Semi-automated annotation of taxonomic sources in MMDB has resulted in taxonomy links for about 38.000 molecules with 3D structure information. This allows for organism-based queries in Entrez's structure division. More..

7. Springer LINK: Journal Of Molecular Modeling - Contents
   Molecular, protein, peptide and drug design, computational modeling, molecular mechanics/dynamics Category Science Biology Publications Journals Fulltext JSpringer LINK, Forum Springer Journal of molecular modeling. ForumWhat's New Search Orders Helpdesk Up. Online First 2003 9/1, 2002  
   http://link.springer.de/link/service/journals/00894/tocs.htm

8. Representation Models In Molecular Graphics
   Concepts in Science through molecular modeling Activities for Students and Teachers Concepts in Mathematics through molecular modeling  
   http://scsg9.unige.ch/fln/eng/toc.html

9. Rasmol In Neuem Gewand
   Der Bericht beschreibt, welche neuen Funktionen in Rasmol 2.6AB implementiert wurden und beleuchtet ein wenig die Bedeutung und Entstehung des Programms. Beispielgrafiken deuten die F¤higkeiten des Programmes an und eine Linkliste weist den Weg zu weiteren RasMolSites.  
   http://www.dkfz-heidelberg.de/spec/linux/rasmol/
   
   Extractions: Molecular Modeling mit RasMol von Andreas Bohne und Henryette Roth Der Bericht beschreibt, welche neuen Funktionen in Rasmol 2.6AB implementiert wurden und beleuchtet ein wenig die Bedeutung und Entstehung des Programms. xmkmf make setzt das Programm dann zusammen. Neben ein paar #ifdefs im Code resultierte diese Manko durch die Vordefinition der Farbtiefe mittels eines typedefs . Da Rasmol in Bezug auf die Abarbeitungsgeschwindigkeit optimal programmiert wurde, bedeutet dies im Klartext, dass Pointer verwendet werden, und je nach typedef macro1.scr Autoren myemail("a.bohne") chemical/x-ras Rasmol (PDB/Expasy) chemical/x-pdb Eine PDB-Datei application/x-rasmol Rasmol (PDB German Mirror) application/x-spt Rasmol-Script chemical/x-gaussian-cube Gaussian Cube chemical/x-gaussian-input Gaussian Input chemical/x-mdl-tgf MDL Scretch chemical/x-mdl-rxnfile MDL RXN chemical/x-mdl-molfile MDL MOL chemical/x-jcamp-dx JCAMP-DX chemical/x-mopac-input MOPAC-Input chemical/x-xyz XMOL xyz-file

10. Welcome To Hypercube, Inc.
    Producer of HyperChem, a molecular modeling package for windows and HyperNMR, a program for prediction of onedimensional NMR spectra.  
    http://www.hyper.com/
    
    Extractions: What's New? Hardware Lock Licensing for Release 7 P urchase a Product Online! Products, Free Software and Demos Novell Server? Please Read This Page First Product Updates ... And the Winner of the Third Annual Hypercube Classic Golf Tournament is.... The tournament was held at the Sanibel Symposium, Wednesday, February 26, 2003 Special Upgrade Pricing for Release 5 and Lower! Special Pricing Extended Until March 31, 2003!! Upgrade from Release 5, 4, 4.5, 3, 2 or 1 for only $495.00 academic, $860.00 commercial! Contact sales@hyper.com or one of our Authorized Dealers today! Visit Our Scripts Page Did you know that HyperChem is scriptable? We are soliciting script contributions to post on our new Scripts Page! HyperChem Now Networks With Pocket HyperChem Pocket HyperChem Release 1.1 and HyperChem Release 7.01 communicate! Update to Release 7.01

11. Form For PDB Query
    Search engine for visualizing 3D biomolecular models.  
    http://molbio.info.nih.gov/cgi-bin/pdb

12. Introduction To Molecular Modeling
    Read an indepth introduction to molecular modelling with diagrams, equations, and notes. What is molecular modeling? molecular modeling, also known as molecular mechanics, is a method to calculate the  
    http://chemistry.gsu.edu/glactone/modeling/MMintro.html
    
    Extractions: A force field is used to calculate the energy and geometry of a molecule. It is a collection of atom types (to define the atoms in a molecule), parameters (for bond lengths, bond angles, etc.) and equations (to calculate the energy of a molecule). In a force field a given element may have several atom types. For example, ethylbenzene contains both sp -hybridized carbons and aromatic carbons. sp -Hybridized carbons have a tetrahedral bonding geomtery, while aromatic carbons have a trigonal bonding geometry. The C-C bond in the ethyl group differs from a C-C bond in the phenyl ring, and the C-C bond between the phenyl ring and the ethyl group differs from all other C-C bonds in ethylbenzene. The force field contains parameters for these different types of bonds. Some of these parameters are given below. The total energy of a molecule is divided into several parts called force potentials, or potential energy equations. Force potentials are calculated independently, and summed to give the total energy of the molecule. Examples of force potentials are the equations for the energies associated with bond stretching, bond bending, torsional strain and van der Waals interactions. These equations define the potential energy surface of a molecule. E TOTAL = E STRETCH + E BEND + E S-B + E

13. CAChe Group/Fujitsu | Chemistry Products
    Experimental chemists use CAChe to view and predict 3D molecular structure, to predict properties and to analyze the relationship between structure and properties or structure and reactivity. CAChe is a tool for medicinal, polymer, process and synthetic chemists.  
    http://www.cachesoftware.com/
    
    Extractions: Teaching with CAChe instructor workbook -Download now! CAChe 5.04 and BioMedCAChe 5.04 released October 14, 2002. Click here for more information. RW Johnson's Director of Computer-Aided Drug Discovery discusses the need for chemistry software­-CAChe-­for every experimentalist, World Pharmaceutical Development Learn more about predicting environmental remediation rates with CAChe, Today's Chemist at Work CAChe receives one of "Top 5 Chemistry Products Awards," based on products that generated the most reader response over a 12 month period. CAChe receives "Reader's Choice Award Finalist," reflecting the products readers found exceptional based on value, reliability, quality, and ease of use.

14. TINKER Molecular Modeling Package
    A free molecular modeling package for molecular mechanics and dynamics, with some special features Category Science Chemistry Software Biomolecular The TINKER molecular modeling software is a complete and general package for molecularmechanics and dynamics, with some special features for biopolymers.  
    http://dasher.wustl.edu/tinker/
    
    Extractions: TINKER Home Page Current Major Version: TINKER 3.9 Major Release Date: June 2001 Last Minor Revision: December 20, 2001 The curent release, version 3.9 contains the following new features and updates from version 3.8: (1) improved nucleic acid building from sequence and automated conversion of nucleic acid PDB files to and from the TINKER format, (2) a new rigid body dynamics facility, (3) ability to handle infinite polymer lattices such as diamond and graphite, (4) treatment of intramolecular polarization via the Thole method, (5) a new utility program to compute molecular polarization, (6) an improved RasMol-based viewer that accepts TINKER coordinate files, allows atom selection, etc., (6) an optional Andersen stochastic collision thermostat for MD, (7) where appropriate TINKER programs such as ANALYZE, SUPERPOSE and SPACEFILL accept multiple coordinate set "archive" files as input, (8) updated parameter sets for various of the supported force fields.

15. Center For Molecular Modeling
    http://cmm.info.nih.gov/

16. Molecular Modelling
    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/organic/mod/

17. Springer LINK: Journal Of Molecular Modeling
    The Journal of molecular modeling is the perfect medium for publishing of researchresults produced by frequent and sophisticated use of computational methods  
    http://link.springer.de/link/service/journals/00894/

18. B Home Page
    B (formerly known as Biomer) is a Javabased molecular modeling program for small organic molecules and biopolymers. Supports nucleic acids (DNA/RNA), polypeptides, polysaccharides, the AMBER force field, geometry optimization, simulated annealing. Exports jpeg, gif, and ppm images.  
    http://www.scripps.edu/case/Biomer/

19. Molecular Modeling Heidelberg
    Category Science Chemistry Computational  
    http://www.dkfz-heidelberg.de/spec/

20. Molecular Modelling Group
    One of the Specialist Interest Groups of the Royal Society of Chemistry. Links to research groups, meeting reports, software archives, selected articles.  
    http://www.rsc.org/lap/rsccom/dab/ind006.htm
    
    Extractions: Mission Statement "To stimulate the use and application of molecular modelling and related methods in Industry" Aims Forthcoming Events Click here to search the chemsoc Conferences and Events database for meetings organised by the Molecular Modelling Group Submit details of a Group meeting to the chemsoc Conferences and Events database Annual Events Cutting Edge Approaches to Drug Design

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