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Molecular Modeling: more books (100)

Organic Chemistry: Molecular Modeling Kit by T. W. Graham Solomons, 2004-08-20
Molecular Modeling of Proteins (Methods in Molecular Biology)
Molecular Modeling Techniques In Material Sciences by Jörg-Rüdiger Hill, Lalitha Subramanian, et all 2005-03-30
Computational Modeling of Genetic and Biochemical Networks (Computational Molecular Biology)
Computer Graphics and Molecular Modeling (Current Communications in Cell and Molecular Biology) by Robert Fletterick, 1986-04
Molecular Modeling of Clays and Mineral Surfaces (CMS Workshop Lectures)
Molecular Modeling and Prediction of Bioactivity
Molecules 3-D: Molecular Modeling by Mac, 1995-05
Saratov Fall Meeting 2003: Laser Physics And Photonics, Spectroscopy, And Molecular Modeling Iv (Proceedings of Spie)
Molecular Design and Modeling: Concepts and Applications, Part B: Antibodies and Antigens, Nucleic Acids, Polysaccharides, and Drugs, Volume 203: Volume ... and Modelling Part B (Methods in Enzymology)
Molecular Modeling of Nucleic Acids (Acs Symposium Series)
QSAR and Molecular Modeling Studies in Heterocyclic Drugs I (Topics in Heterocyclic Chemistry) (v. 1)
Introduction to Molecular Modeling by David Soriano, Jamie Blair, et all 2002-01
Molecular Modeling and Dynamics of Bioinorganic Systems (NATO Science Partnership Sub-Series: 3:)

lists with details

Molecular Modeling Home Page
molecular modeling was introduced at Lebanon Valley College through support by the College and a $49,188 grant titled molecular modeling Throughout the
http://www.molecules.org/index_noframes.html

Extractions: Other Sites Molecular modeling was introduced at Lebanon Valley College through support by the College and a $49,188 grant titled "Molecular Modeling Throughout the Chemistry Curriculum" from the National Science Foundation. The Chemistry Department built a Molecular Modeling Laboratory housing 10 Power Macintosh computers (233-MHz G3, 64 MB Ram, 4 GB hard drive, internal ZIP drive, 24X CD-ROM) which run CAChe Scientific software and a Silicon Graphics Indigo II Workstation running Tripos software. Another grant from the National Science Foundation "A Consortium for Molecular Modeling Using Workshops and the World Wide Web" supports workshops for undergraduate faculty . This web site has grown from the activities under these grants. Please browse the site using the links given toward the top of the page. We would like to have your comments and suggestions, so please let us know you were here and give us feedback A Slide Show describes uses for molecular modeling.
EBioinformatics BioNavigator
eBioinformatics offers BioNavigator a webbased service incorporating tools and databases from many sources; enabling you to perform sequence analysis, database searching, PCR primer design, and molecular modeling.
http://www.BioNavigator.com/
Linux4Chemistry - Linux Software For Chemistry: Molecular Modeling, Visualizatio
An upto-date website with the links to Linux software for chemistry including computational, visualization, graphic, molecular modeling, both free and commercial software useful in different fields of chemistry.
http://zeus.polsl.gliwice.pl/~nikodem/linux4chemistry.html

Extractions: ABINIT achemso ADF the Amsterdam Density Functional program system for high-quality computational chemistry research. The two main programs are ADF, for molecules, and BAND for periodic structures: polymers, slabs, and crystals. Several smaller utility and property programs are available for pre- and post-processing data of the main calculations.
Molecular Modeling
Photosynthesis. molecular modeling. Instrumentation. Analysis/Modeling. Website Map. Index. Online Protein Viewers. Software Used in molecular modeling and Molecular Dynamics. Cool molecular modeling
http://www.arc.unm.edu/~aroberts/main/molmod.htm

Extractions: Analysis/Modeling Website Map For Bugs or adding links,Please email me! Index Online Protein Viewers Software Used in Molecular Modeling and Molecular Dynamics Cool Molecular Modeling Sites Click here for books on Molecular Structures Cool Molecular Modeling Sites Chemical Computing Group Inc. is a leading world-wide supplier of high-end scientific software and services for High Throughput Screening, Bioinformatics and Computer Aided Molecular Design applied to Drug Discovery and Life Sciences. CCG has been operating in Montreal since 1994 (Updated 3/25/01). CCL-Computational Chemistry List Home was established on January 11, 1991, as an independent electronic discussion forum for chemistry researchers and educators from around the world. It is located at Ohio Supercomputer Center (Updated 6/16/99). Chemistry Software List at NIU Cheminformatics Site provides a list of software for the small molecule molecular modeling scientist at the NIU CHemistry Cheminformatics (Updated 5/22/99).
CMS Molecular Biology Resource
A compendium of tools for molecular biology, biotechnology, molecular evolution, biochemistry and biomolecular modeling.
http://restools.sdsc.edu/
SpringerLink - Publication
Journal of molecular modelingMolecular, protein, peptide and drug design, computational modeling, molecular mechanics/dynamics
http://link.springer.de/link/service/journals/00894/

Extractions: Publication Journal of Molecular Modeling Publisher: Springer-Verlag Heidelberg ISSN: 1610-2940 (Paper) 0948-5023 (Online) Subject: Chemical Sciences Life Sciences Medicine Physics and Astronomy Issues in bold contain article full text that you are entitled to view. Online First Volume 10 Number 3 Number 2 Number 1 Request a sample Volume 9 Number 6 Number 5 Number 4 Number 3 ... Number 1 Volume 8 Number 12 Number 11 Number 10 Number 9 ... Number 1 Volume 7 Number 12 Number 11 Number 10 Number 9 ... Numbers 1-3 Volume 6 Number 12 Numbers 10-11 Number 9 Numbers 7-8 ... Number 1 Volume 5 Number 12 Number 11 Number 10 Number 9 ... Number 1 Volume 4 Number 12 Number 11 Number 10 Number 9 ... Number 1 Volume 3 Number 12 Number 11 Number 10 Number 9 ... Number 1 Volume 2 Number 12 Number 11 Number 10 Number 9 ... Numbers 1-2 Volume 1 Number 4 Number 3 Number 2 Number 1 Publication 1 of 1 Previous Publication Next Publication Linking Options About This Journal Editorial Board Manuscript Submission Quick Search Search within this publication...
MoluCAD
Educational software for chemistry students, for the creation and visualization of complex molecular structures in 3D. Demo and online purchasing available.
http://www.molucad.com/molucad/index.htm

Extractions: MoluCAD is a full-featured molecular modeling and visualization tool designed for Windows. Originally conceived as an aid for students of organic chemistry, MoluCAD has quickly evolved into much more. The latest version incorporates many advanced features only found in expensive workstation-based modeling packages. Ease of use, premium graphical quality, and computational robustness are the trademarks of MoluCAD. Novice users are able to quickly generate models, view them form any perspective, create reaction animations, and save all data to disk. MoluCAD is distributed by download from this website. [Download MoluCAD Demo] Diels-Alder Cyclohexane-Flip Interactive Periodic Table HTML-Based Help Built-In MM2 Energy Minimization MoluCAD is the result of a 3-year National Institutes of Health biomedical technology research project aimed at producing low-cost educational software for chemistry students. See the December 1997 NCRR Reporter article, "
Computational Chemistry And Molecular Modeling
Service for chemical pictures, animations, 3D files and molecular properties (HOMO, LUMO, charges, dipole, spin).
http://www.molecular-modelling-service.de/

Extractions: Home deutsch english deutsch ... english Email: stefan@comchem.de 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
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: Software Downloads Useful Links RSC members: register your email address ... Further information Molecular Modelling Group Mission Statement "To stimulate the use and application of molecular modelling and related methods in Industry" Aims To raise awareness of molecular modelling To promote the cost-effectiveness of molecular modelling and related methods in experimental programs of research across all industrial sectors To facilitate the use of molecular modelling and related methods by Small and Medium Enterprises (SMEs) across the UK by arranging seminars and meetings for research managers and technical personnel To identify expertise in problem solving and the provision of appropriate molecular modelling solutions for industrial research applications To inform members of advances in the applications and development of molecular modelling and to update members on the performance of hardware and software To promote the synergistic interaction of this Specialist Interest Group with others, both within the RSC and outside, in industry and academia, in the UK and abroad
Molecular Modeling Of Proteins
molecular modeling of Proteins. Journal of Molecular Biology. Journal of molecular modeling (the first fully electronic journal in chemistry). Protein Science.
http://solon.cma.univie.ac.at/~neum/protein.html

Extractions: (Proverbs 25:2; ascribed to King Solomon of Israel, ca. 1000 B.C.) The protein folding problem entails the mathematical prediction of (tertiary, 3-dimensional) protein structure given the (primary, linear) structure defined by the sequence of amino acids of the protein. It is one of the most challenging problems in current biochemistry, and is a very rich source of interesting problems in mathematical modeling and numerical analysis, requiring an interplay of techniques in eigenvalue calculations, stiff differential equations, stochastic differential equations, local and global optimization, nonlinear least squares, multidimensional approximation of functions, design of experiment, and statistical classification of data. Even topological concepts like the Morse index and invariants in knot theory (Jones polynomials) have been discussed in this context. An extensive recent report from the U.S. National Research Council
MathMol
MathMol (Mathematics and Molecules) is designed to serve as an introductory starting point for K12 students and teachers interested in the field of molecular modeling and its application to mathematics.
http://www.nyu.edu/pages/mathmol/K_12.html

Extractions: The K-12 Activity MathMol Page is designed to serve as an introductory starting point K-12 students interested in the field of molecular modeling. If your browser supports JavaScript you will be taken to our new location at http://www.edinformatics.com/mathmol/ in a few seconds. If your browser doesn't support JavaScript, you may click to the above address. Please inform the webmaster of the site that linked you here to update their link. Thanks!
Accelrys -- Software For Pharmaceutical, Chemical, And Materials Research
Provider of molecular modeling and simulation software and services for both life and materials science research.
http://www.accelrys.com/

Extractions: Request your free copy E-flash Sign up for a monthly update from Accelrys Product Updates AEI 5.3 new enterprise cheminformatics solution MS Modeling 3.0 materials simulation on the PC More about Accelrys... WebStore Desktop solutions Bioinformatics Cheminformatics Modeling/Simulations Chemical databases Or call toll-free
SpringerLink - Publication
antas.agraria.uniss.it/ molecular modelingmolecular modeling. Protein Modeling. PDB The Protein Data Bank, is hosted by the Research Collaboratory for Structural Bionformatics
http://link.springer-ny.com/link/service/journals/00894/

Extractions: Publication Journal of Molecular Modeling Publisher: Springer-Verlag Heidelberg ISSN: 1610-2940 (Paper) 0948-5023 (Online) Subject: Chemical Sciences Life Sciences Medicine Physics and Astronomy Issues in bold contain article full text that you are entitled to view. Online First Volume 10 Number 3 Number 2 Number 1 Request a sample Volume 9 Number 6 Number 5 Number 4 Number 3 ... Number 1 Volume 8 Number 12 Number 11 Number 10 Number 9 ... Number 1 Volume 7 Number 12 Number 11 Number 10 Number 9 ... Numbers 1-3 Volume 6 Number 12 Numbers 10-11 Number 9 Numbers 7-8 ... Number 1 Volume 5 Number 12 Number 11 Number 10 Number 9 ... Number 1 Volume 4 Number 12 Number 11 Number 10 Number 9 ... Number 1 Volume 3 Number 12 Number 11 Number 10 Number 9 ... Number 1 Volume 2 Number 12 Number 11 Number 10 Number 9 ... Numbers 1-2 Volume 1 Number 4 Number 3 Number 2 Number 1 Publication 1 of 1 Previous Publication Next Publication Linking Options About This Journal Editorial Board Manuscript Submission Quick Search Search within this publication...
Chemistry Molecular Models
molecular modeling for Chemical Education Lebanon Valley College; NIH molecular modeling Home Page - Easy Access to Biochemical Structures;
http://www.uwsp.edu/chemistry/pdbs/
UWMML At Pharmacy
Click here Tripos/Sybyl course announcement. Sybyl molecular modeling software is available as a seat on the University of Wisconsin site license.
http://uwmml.pharmacy.wisc.edu/

Extractions: University of Wisconsin Molecular Modelling Laboratory, Rm. 7205 School of Pharmacy, 777 Highland Ave., Madison, Wisconsin 53705-2222 Professor Dan Rich dhrich@facstaff.wisc.edu Associate Scientist Ken Satyshur satyshur@wisc.edu 608-262-9403. Or contact me on my cell phone: 608-215-5207, Which also takes e-mail: 6082155207@vtext.com Serving the Pharmacy community since 20/Sep/1994:13:32:29. Last modified Sept. 28,2003 This is a composite stereo picture. This is the CORRECT kind of stereo image to publish in a journal. If you see crossed stereo, view the middle and right images. If you see relaxed stereo, view the left and middle images. If you don't know which method you use to see stereo, view the images and note if the phenyl under the yellow dots comes toward you or away from you. Find out the answer by clicking here!! How to See Stereo Modelling Pictures! Sybyl molecular modeling software is available as a seat on the University of Wisconsin site license. Sybyl, by Tripos Corp (www.tripos.com), is a full featured modeling package that is used to create, manipulate, and display molecules and polymers. It is especially suited to biological compounds with the "biopolymer" module. Proteins, DNA, and RNA can be displayed andmanipulated in various formats, including sticks, surfaces and ribbons. High quality images can be saved in various formats for publication in print, as html, or for input to powerpoint. There are 14 seats now in use for students and faculty. The site is sponsored by the Chemistry department (prof. Dan Rich) and is served by Melissa Lucero (lucero@chem.wisc.edu) and Ken Satyshur (satyshur@uwmml.pharmacy.wisc.edu). Please contact them if you wish to join the site license.Things to do at this site:
Fred K. Friedman, Ph.D.
Structure, function, mechanism and regulation of the drug and carcinogen metabolizing cytochrome P450 enzymes are studied by biochemical, biophysical and enzymology approaches, and by molecular modeling.
http://rex.nci.nih.gov/RESEARCH/basic/lm/fkf.htm
Center For Molecular Modeling
http://cmm.cit.nih.gov/modeling/
GLMAC Homepage
Information about current research in bioremediation, soil contaminant sorption and desorption, molecular modeling techniques, and related fields. Michigan, USA.
http://www.engin.umich.edu/dept/cee/research/HSRC/

Extractions: FOR HAZARD OUS SUBSTANCE RESEARCH University of Michigan Michigan State University Howard University Mission Statement The mission of the Great Lakes Mid-Atlantic Center for Hazardous Substance Research is to foster and support integrated, interdisciplinary, and collaborative efforts that advance the science and technology of hazardous substance management to benefit human and environmental health and well-being. To this end, the center coordinates the research efforts of a world-class team of investigators from the University of Michigan, Michigan State University, and Howard University. Investigators from the three universities join forces to tackle issues surrounding the development and application of bioremediation technologies for contaminated soils and groundwater. Current research projects include studies of soil contaminant sorption, desorption, and sequestration properties aimed at developing molecular modeling techniques, and the development and field application of surfactant-enhanced remediation and in-situ microbial remediation technologies. Targeted Research Area Collaborations, or TRACs, encourage research groups to share ideas, data, and other resources, thereby increasing productivity and accelerating the transfer of technologies to end-users.
An Introduction To Molecular Modeling
An Introduction to molecular modeling. Allen B. Richon. This article introduces the concepts of molecular modeling and contains references for further reading.
http://www.netsci.org/Science/Compchem/feature01.html

Extractions: Introduction Drug design is an iterative process which begins when a chemist identifies a compound that displays an interesting biological profile and ends when both the activity profile and the chemical synthesis of the new chemical entity are optimized. Traditional approaches to drug discovery rely on a step-wise synthesis and screening program for large numbers of compounds to optimize activity profiles. Over the past ten to twenty years, scientists have used computer models of new chemical entities to help define activity profiles, geometries and reactivities. This article introduces the concepts of molecular modeling and contains references for further reading. Photo 1 Iron complexed to sulphur containing residues highlighted Computational chemistry/molecular modeling is the science (or art) of representing molecular structures numerically and simulating their behavior with the equations of quantum and classical physics. Computational chemistry programs allow scientists to generate and present molecular data including geometries (bond lengths, bond angles, torsion angles), energies (heat of formation, activation energy, etc.), electronic properties (moments, charges, ionization potential, electron affinity), spectroscopic properties (vibrational modes, chemical shifts) and bulk properties (volumes, surface areas, diffusion, viscosity, etc.). As with all models however, the chemist's intuition and training is necessary to interpret the results appropriately. Comparison to experimental data, where available, is also important to guide both laboratory and computational work.
The Babel Home Page
A program designed to interconvert a number of file formats currently used in molecular modeling.
http://smog.com/chem/babel/

Extractions: Babel was designed so that new file formats could be easily added by the end user. The addition of a file format to Babel typically consists of merely creating the "reader" and/or "writer" routines and adding a few lines of code to the main program. For those interested in adding new file formats we have produced The Babel Developer's Guide

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