Molecular structure

Results: 1178



#Item
391Chemistry / Medicinal chemistry / Econometrics / Regression analysis / Neural networks / Quantitative structure–activity relationship / Molecular descriptor / Artificial neural network / Feedforward neural network / Statistics / Science / Cheminformatics

j1 1 Current Modeling Methods Used in QSAR/QSPR Liew Chin Yee and Yap Chun Wei

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Source URL: www.wiley-vch.de

Language: English - Date: 2012-05-06 21:05:24
392Intermolecular forces / Metalloproteins / Chemical bonding / Molecular dynamics / Force field / QM/MM / Hydrogen bond / Root-mean-square deviation / Zinc / Chemistry / Computational chemistry / Molecular modelling

Submitted to The Journal of Physical Chemistry Determination of the Structure Form of the Fourth Ligand of Zinc in Acutolysin A using Combined Quantum Mechanical and Molecular Mechanical Simulation

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Source URL: www.dtc.umn.edu

Language: English - Date: 2012-08-16 12:29:07
393Richland /  Washington / Tri-Cities /  Washington / United States Department of Energy National Laboratories / Transition metal oxides / Materials science / Epitaxy / Environmental Molecular Sciences Laboratory / Doping / Pacific Northwest National Laboratory / Chemistry / Semiconductor device fabrication / Matter

Structure-property Relationships in Pure and Doped Epitaxial Tungsten Trioxide Thin Films

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Source URL: www.emsl.pnnl.gov

Language: English - Date: 2015-03-24 18:37:56
394Dynamical system / Nature / Structure / Matter / Diffusion / Molecular diffusion / Transport phenomena

Yamamoto, H., and S. Yoden, 2013: Theoretical estimation of the superrotation strength in an idealized quasi-axisymmetric model of planetary atmospheres. J. Meteor. Soc. Japan, 91, 119–141. http://dx.doi.org[removed]jm

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Source URL: jmsj.metsoc.or.jp

Language: English - Date: 2014-07-17 22:44:14
395Molecular biology / Nutrition / Proteins / Protein structure / Peptide / Amino acid / Edman degradation / Homoserine / Ninhydrin / Chemistry / Biology / Proteomics

THE JOURNAL osBm~omxr. Vol. 244, No. 8, Issue Printed

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Source URL: hogness.stanford.edu

Language: English - Date: 2012-03-13 13:17:32
396Protein structure / Molecular modelling / Force field / X-ray crystallography / Adaptive mesh refinement / Chemistry / Science / Crystallography

The Phenix refinement framework Afonine#, P.V., Grosse-Kunstleve, R.W. & Adams, P.D.

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Source URL: www.ccp4.ac.uk

Language: English - Date: 2005-07-27 10:41:38
397Biology / Protein methods / Science / Protein structure prediction / Molecular modelling / Stereochemistry / Rosetta@home / De novo protein structure prediction / Protein structure / Bioinformatics / Chemistry

Latest News September 19, 2005 Volume 83, Number 38 p. 7 COMPUTATIONAL CHEMISTRY

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Source URL: boinc.bakerlab.org

Language: English - Date: 2005-10-25 12:46:18
398Theoretical chemistry / Atomic physics / Charge carriers / Lewis structure / Formal charge / Chemical bond / Lone pair / Orbital hybridisation / Ion / Chemistry / Chemical bonding / Quantum chemistry

More on Using the CAChe Software: Formal Charge and Hybridization Page 123 More on Using the CAChe Molecular Modeling Software

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Source URL: employees.oneonta.edu

Language: English - Date: 2006-01-22 21:37:01
399Genetics / Molecular biology / Biophysics / Nucleic acid double helix / Molecular Structure of Nucleic Acids: A Structure for Deoxyribose Nucleic Acid / Watson and Crick / Nucleic acid sequence / Gene / Single-molecule experiment / Biology / DNA / Helices

DNA double helix measurements

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Source URL: phys.org

Language: English - Date: 2015-04-15 02:05:59
400Microbiology / Viruses / Capsid / Tree of life / Molecular dynamics / HIV / Biology / Virology / HIV/AIDS

Wit, grit and a supercomputer yield chemical structure of HIV capsid

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Source URL: medicalxpress.com

Language: English - Date: 2015-04-17 21:25:10
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