Modell, Walter

For his discovery, leading up to the development of practical density functional models, Walter Kohn was awarded the Nobel Prize in Chemistry in 1998. 

The combination of several observations, using also flexible compounds, notably aspartame, whose solution structure had just been determined (Lelj et al., 1976), led to a detailed quasi-planar outline of the active site. The main features of this model can be summarized as follows (1) the active site of the receptor is a flat cavity with one side partially accessible even during the interaction with the agonist (2) the lower part of the cavity hosts the AH-B entity complementary to that of the sweet molecule (3) the upper part is hydrophobic and plays an important role in the case of very active sweeteners. This is often referred to as the "Temussi model" (Walters, 1995 Walters et al., 1986). Figure 4A shows the main contour of the active site hosting a model of aspartame in an extended conformation. 

Cobelli, C. and Toffolo, G. 1987. Theoretical aspects and practical strategies for the identification of unidentifiable compartmental systems. In Identifiability of Parametric Models, Walter, E., Ed., Pergamon, Oxford, pp. 85-91. 

AR Banerjee, A Berzal-Heii anz, J Bond, S Butcher, JA Esteban, JE Heckman, B Sargueil, N Walter, JM Burke. Mol Modeling Nucleic Acids 682 360-368, 1998. 

Six, C., Fischer, A. and Walters, S. (1996). The seasonal cycle of atmospheric CO2 A study based on the NCAR Community Climate Model (CCM2), /. Geophys. Res. 101,15079-15097. 

Zhang J, Yu K, Zhu W, Jiang H (2006) Neuraminidase pharmacophore model derived from diverse classes of inhibitors. Bioorg Med Chem Lett 16 3009-3014 Ziircher T, Yates PJ, Daly J, Sahasrabudhe A, Walters M, Dash L, Tisdale M, McKimm-Breschkin JL (2006) Mutations conferring zanamivir resistance in human influenza virus N2 neuraminidases compromise virus fitness and are not stably maintained in vitro. J Antimicrob Chemother 58 723-732... 

Walter et al. studied the flow distribution in simple multichannel geometries by means of the finite-element method [112]. In order to reduce the computational effort, a 2-D model was set up to mimic the 3-D multichannel geometry. Even at a comparatively small Reynolds number of 30 they found recirculation zones in the flow distribution chamber and corresponding deviations from the mean flow rate inside the channels of about 20%. They also investigated the influence of contact time variation on a simple two-step reaction. 

The material model is just a bit of matter - a molecule all the physical interactions are in principle considered (even if some terms are discarded in actual calculations), the modelization is thus reduced to the mathematical part. In addition, the report has the characteristics of an explanation. Making reference to a celebrated sentence opining the textbook on Quantum Chemistry by Eyrmg, Walter, Kimball [17] "In so far as quantum mechanics is correct, chemical questions are problems in applied mathemathics", it may be said that this program is a realization of that sentence. 

SAS for Linear Models, Fourth Edition by Ramon C. Littell, Walter W. Stroup, and Rudolf Freund... 

Walter,E. Janich, S. Roessler, B.J. Hilfinger,J.M. Amidon, G. L., HT29-MTX/Caco-2 cocultures as an in vitro model for the intestinal epithelium In vitro-in vivo correlation with permeability data from rats and humans, J. Pharm. Sci. 85, 1070-1076 (1996). 

Krahmer, M. T. Johnson, Y. A. Walters, J. J. Fox, K. F. Fox, A. Nagpal, M. Electrospray quadrupole mass spectrometry analysis of model oligonucleotides and polymerase chain reaction products determination of base substitutions, nucleotide additions/deletions, and chemical modifications. Anal. Chem. 1999, 71, 2893-2900. 

John von Neumann constructed several models (originally known as kinematic models ) with the goal of incorporating the logical core of self-production into the system. Others studied von Neumann s model and modified it, for example, Walter Fontana, who devised the AlChemy (Algorithmic Chemistry) system. This can be described as artificial chemistry, an evolution reactor in which the objects which react are not molecules but mathematical functions. 

Brayton JJ, Yang Q, Nakkula RJ, Walters JD (2002) An in vitro model of ciprofloxacin and minocycline transport by oral epithelial cells. J Periodontol 73 1267-1272... 

Walters, D.E. and Hinds, R.M. Genetically evolved receptor models a computational approach to constmction of receptor models./. Med. Chem. 1994, 37, 2527-2536. 

Walters, S., Skrzeczynski, B., Whiting, T., Bunting, F., Arnold, G. 2002. Discovery and geology of the Cannington Au-Pb-Zn deposit, Mount Isa Eastern Succession, Australia development and application of an exploration model for Broken Hill-type deposits. Special Publication (Society of Economic Geologists U.S.), 9, 95-118. 

MHC molecules all-surface glycoprotien encoded by the major histocompatibility complex of genes they are involved in immunity and cell recognition mimicry, Batesian resemblance of one animal (the mimic) to another (the model) to the benefit of the mimic, as when the model is dangerous or inedible (described by Henry Walter Bates 1825-1892)... 

Walter-Yohrling J, Pratt BM, Ledbetter S et al (2003) Myofibroblasts enable invasion of endothelial cells into three-dimensional tumor cell clusters a novel in vitro tumor model. Cancer Chemother Pharmacol 52 263-269... 

Walter E, Piet-Lahannier H, Happel J. 1986. Estimation of non-uniquely identifiable parameters via exhaustive modeling and membership set theory. Math Computers Simulation 28 479 90. 

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