Geometry.Net - Chemistry: Molecular Modeling

Computational Chemistry And Molecular Modeling
http://www.comchem.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 Modeling Related Sites
molecular modeling Related Sites. Advanced Chemistry Development ChemSketch3.5 FREE! molecular modeling Institutes and Other Collections of Links.
http://www.phc.vcu.edu/link/molmodsites.html
Folding@Home Educational Project
molecular modeling. Author Tug Sezen. Reference Andrew R. Leach (1996); MolecularModeling Principles and Applications; Addison Wesley Longman Limited.
http://folding.stanford.edu/education/molmodel.html

Extractions: Home Participate (Download) Help! Education ... Glossary MOLECULAR MODELING In a pool table after a cue exerts a force on a ball many balls begin to move as a result of interaction between the balls. If we know the position of each ball using Newton's laws we can predict the motion of all balls with reasonable accuracy, if we simplify the problem to a certain extent (3 body problems have no solutions otherwise). In order to solve such a problem computationally we have to make many simplifications such as assume elastic collisions, and so on. Many of the problems that we would like to tackle in molecular modeling are unfortunately too large to be considered by quantum mechanical methods even for distributed computing. As protein models consist of hundreds or thousands of atoms the only feasible methods of computing systems of such size are molecular mechanics calculations (kind of like playing pool with atoms.) A force field is assigned to each atom in the protein. This figure is a schematic representation of the four key contributions to a molecular mechanics force field: bond stretching, angle bending, torsional terms and non-bonded interactions.
BioNavigator | Molecular Modeling
molecular modeling and the ability to derive a better understanding of structurefunctionrelationships in proteins is contributing to rapid advances in fields
http://www.bionavigator.com/information/molmod.html

Extractions: oinformatics workspace Molecular modeling and the ability to derive a better understanding of structure-function relationships in proteins is contributing to rapid advances in fields such as drug design This release of BioNavigator provides this functionality by incorporating many programs including WHAT IF and ICM Homology Modeling. These programs are, as with all programs and databases in BioNavigator integrated seamlessly into the easy-to-use interface. Additionally there are 6 molecular modeling protocols included in BioNavigator that provide a step-by-step guide to carrying out common molecular modeling analyses, such as: What is molecular modeling? Molecular modeling, within BioNavigator, is used for the analysis, modification, building and display of protein structures. It has applications in structure analysis such as determining contacts between the protein of interest and e.g. a drug; in protein engineering where residues are mutated to perhaps stabilize the structure;and homology modeling, where a three dimensional (3D) structure of a protein, with unknown structure, is built using a homologous protein as a template. Figure: Structure of Lysozyme (PDB: 1l00) generated using ICM and displaying two active site residues and cysteine-97 complexed with Beta-Mercaptoethanol.
Applying Molecular Modeling
CoMSEF, http//www.comsef.aiche.org/), including links to ChE faculty with researchon molecular modeling, software sources, online literature, images, etc.
http://www.wtec.org/loyola/molmodel/

Extractions: International Comparative Study on Applying Molecular and Materials Modeling The final report is available in Adobe Acrobat format: mm_final.pdf (~3.5 Mb) Phillip R. Westmoreland , Department of Chemical Engineering, University of Massachusetts Amherst (Panel Chair) Measurement and quantum modeling of elementary-reaction kinetics in flames, PECVD plasmas, polymer decomposition, and homogeneous catalysis; founding chair of AIChE Computational Molecular Science and Engineering Forum ; co-chair of 1998 and 2001 AIChE Topical Conference and FOMMS 2000 Peter A. Kollman , Department of Pharmaceutical Chemistry, University of California San Francisco (Panel Vice-Chair) Computational approaches to understand structure, energies and reactions of organic and biochemical molecules; developer of the AMBER force fields ; member of UCSF Molecular Design Institute Anne M. Chaka , Lubrizol during the study; now Group Leader for Computational Chemistry at NIST Industrial chlorination, catalysis, automotive lubricant additives using computational chemistry; Max-Planck-Society Fellowship, 1999-2000 ( Fritz-Haber-Institut (FHI) with Matthias Scheffler) Peter Cummings , Department of Chemical Engineering, University of Tennessee, and Chemical Technology Division, Oak Ridge National Laboratory Molecular simulations for phase equilibrium and rheological properties; parallel supercomputing; co-chair of 1998
SGI - Industries: Sciences: Life And Chemical Sciences: Computational Chemistry
260K). Watch a video molecular modeling Video (416 min) StreamingVideo Icon You need javascript turned on to watch a video. In
http://www.sgi.com/industries/sciences/chembio/comp_chem.html

Extractions: Sciences Life and Chemical Sciences Overview SGI Origin Family Servers for Bioinformatics and Chemistry ... Events Application Areas Bioinformatics Computational Chemistry and Molecular Modeling Industry Segments Medicine and Healthcare Research and Education Science Centers, Planetariums, and Museums Related Sites Servers Storage Reality Center Workstations ... 2002 Computational Chemistry Performance Report (PDF 260K) Watch a video: Molecular Modeling Video (4:16 min) In the following tables you'll find a listing of chemistry applications supported for SGI systems. They are sorted by software developer and application name as well as platform availability. If you cannot find the application software you are looking for or you are a software developer and your product and solutions are not listed, please contact us at chembio@sgi.com Cheminformatics Area Developer Application IRIX
Exorga, Inc. - Consultants In Organic Chemistry And Molecular Modeling
Exorga, Inc. Consultants in Organic and Environmental Chemistry, andmolecular modeling. Welcome to Exorga, Incorporated's Web-Site!
http://ourworld.compuserve.com/homepages/exorga/

Extractions: Exorga, Inc. - Consultants in Organic and Environmental Chemistry, and Molecular Modeling Welcome to Exorga, Incorporated 's Web-Site! Consultants in chemistry and chemical engineering actively involved in product development, computational, experimental, and environmental organic chemistry. Exorga, Inc. - We are developers of chemistry software Exorga, Inc. has developed " the next generation " of molecular modelers, based on the new QVBMM molecular mechanics force field STR3DI32.EXE and QVBMM32.EXE (and QVBMM.EXE ) will enable you to tackle theoretical problems in organic chemistry that are outside of the reach of all other molecular mechanics based force fields. You'll also be able to explore some problems that cannot be fully resolved by the currently available molecular orbital based methods. Given the power of the CPUs that are commercially available at a modest price, most modest computer purchases now involve machines with CPUs rated at 1 GHz or better, we have added more power to the structure energy minimizing routine and tightened the code considerably. We now present you with STR3DI32.EXE, the 21st Century, Year 2003 Edition, version 2.003.01.H
Molecular Modeling And Visualization
molecular modeling and Visualization. molecular modeling at NIH en; MolecularModeling in Organic Chemistry Courses (Alan J. Shusterman) en;
http://www.chemie.fu-berlin.de/chemistry/index/molmod/

Extractions: Please note: Support for this service has been stopped. Use http://www.chemie.de/ instead. CORINA 3D Coordinates for Chemical Structures [en] Depict - Interactive depiction of SMILES [en] FlexX - a program for automatic prediction of receptor-ligand interactions [en] GROMOS and BIOMOS [en] ... Chemie.DE Chemistry Internet Information Service (under construction) Searchable Chemistry Index Top Level of Hierarchical Chemistry Index
Molecular Modeling
next previous Next Introduction Previous No Title. molecular modeling.Jan K. abanowski, Ohio Supercomputer Center. Introduction;
http://www.arl.hpc.mil/PET/cta/ccm/training/tech-notes/model/node1.html
ISREC Molecular Modeling Page
ISREC molecular modeling activities. Andrey Kajava STEREOCHEMICAL ANALYSISAND molecular modeling OF PROTEINLIPID COMPLEXES. Over the
http://www.isrec.isb-sib.ch/modeling/modeling.html

Extractions: My main interest is relationship between amino acid sequences of proteins and their 3D structures. Ab initio prediction of protein structures is the most challenging task of this domain of molecular biology. My experience suggests that STRUCTURAL PREDICTION OF PROTEINS WITH REPETITIVE SEQUENCES yields reliable results. The prediction is facilitated by regular spatial arrangement of the repeats, the possibility of distinguishing between structurally and functionally important residue conservation, knowledge of a molecular shape and by indirect experimental evidences. These proteins are of my particular interest. In my previous work, the 3D structures of the bacterial ice nucleation proteins with 48 residue repeats has been predicted and modeled (ref. 10, 14). The coordinates of the structure as well as that of the protein-ice interface are available in the Protein Data Bank ( PDB code and Another structural prediction concerns the extracellular domain of the thyrotropin receptor - a "typical" leucine-rich repeat (LRR) protein (ref.9). The predicted structure can be used to build models for most of the known LRR proteins. The atomic coordinates are available
JosseyBass :: Computational Chemistry & Molecular Modeling
JosseyBass Chemistry Computational Chemistry molecular modeling. ComputationalChemistry molecular modeling (49), Listings 125 26-49,
http://www.josseybass.com/cda/sec/0,,2914,00.html
WileyEurope :: Computational Chemistry & Molecular Modeling
WileyEurope Chemistry Computational Chemistry molecular modeling. ComputationalChemistry molecular modeling (47), Listings 125 26-47,
http://www.wileyeurope.com/cda/sec/0,,2914,00.html
Molecular Modeling Page
molecular modeling Home Page. molecular modeling as a branch of appliedcomputer science has been developing rapidly over past years
http://www.ucsf.edu/shokat/mm/

Extractions: Molecular Modeling Home Page Molecular modeling as a branch of applied computer science has been developing rapidly over past years gaining its share of success in various fields of scientific research. These impressive advances have been made possible by increasing availability of powerful computational resources and development of new efficient algorithms. We have attempted to use these opportunities to enhance our research possibilities in search for new biologically important compounds as well as potentially useful techniques.
Molecular Modeling At UMDNJ
molecular modeling at UMDNJ. ACS supports a suite of molecular modelingproducts at UMDNJ including the following. SYBYL. A comprehensive
http://www.umdnj.edu/istweb/prodserv/acs_m04.htm
CERMM - Centre For Research In Molecular Modeling
Announcements. 3rd Annual CERMM Symposium. Photos are now available!!If you have any photos you would like posted on the site, please
http://artsci-ccwin.concordia.ca/chem/CERMM/
Emerging Technologies--molecular Modeling
Internet2 Logo. Macromolecular Crystallography and NMR, molecular modelingand ComputerAided Drug Discovery. Project Director, Glenn Kellog, Ph.D.
http://www.at.vcu.edu/etech/i2projects/molec_model.html
Molecular Modeling Facility At UC Irvine
molecular modeling Facility.
http://www.chem.uci.edu/facilities/molecular_modeling/

Extractions: Work Hours: M-F 9-6 PM The Molecular Modeling Facility maintains Silicon Graphical workstations and various modeling software for visualization, molecular modeling and the calculation of properties of complex molecules. Various research groups subscribe to our facility for their research needs and training software is offered to use proper software for their research projects. Synthetic and biological chemists find computational modeling an important research tool for understanding experimental results and predicting organic reactivity and selectivity.
Actelion - Molecular Modeling
Structural information on target proteins is used in molecular modelingto guide chemists and biologists in their daily work. For
http://www.actelion.com/Apps/WebObjects/Actelion.woa/wa/dp?name=molecular_modeli
Molecular Modeling At Middlebury
A Chime tutorial on normal modes of Methylene Dichloride molecular modeling StudentProjects Functional Protein Cavities Molecular Dynamics of Carbon Monoxide
http://alta1.middlebury.edu/chemistry/molecular/molmod.html
IconBAZAAR - Molecules - WWW Resources On Molecular Modeling
Click here to visit our sponsor Selected WWW Resources on molecular modelingChemicals with Pharmaceutical Activity A 3D Structural Database
http://www.iconbazaar.com/molecules/resources.html

81-100 of 137 Back | 1 | 2 | 3 | 4 | 5 | 6 | 7 | Next 20