Zobrazeno 1 - 10
of 136
pro vyhledávání: '"Marvin Charton"'
Publikováno v:
International Journal of Peptide and Protein Research. 32:269-278
Fifteen physicochemical descriptors of side chains of the 20 natural and of 26 non-coded amino acids are compiled and simple methods for their evaluation described. The relevance of these parameters to account for hydrophobic, steric, and electric pr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::88e643b24d3d95657129ff9d66d7e3a3
https://doi.org/10.1111/j.1399-3011.1988.tb01261.x
https://doi.org/10.1111/j.1399-3011.1988.tb01261.x
Autor:
Marvin Charton
Publikováno v:
International Journal of Peptide and Protein Research. 28:201-207
Values of delta delta G previously reported for transition state binding of ATP and tyrosine by tyrosyl-tRNA synthetase as a function of side chain structure are quantitatively described by the intermolecular force (IMF) equation. Polarizability, ion
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8aa0e90ef0d36829d6560b9fa3042bf4
https://doi.org/10.1111/j.1399-3011.1986.tb03248.x
https://doi.org/10.1111/j.1399-3011.1986.tb03248.x
Autor:
Marvin Charton
Publikováno v:
Current Computer Aided-Drug Design. 2:353-368
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f3d6c8306b3084a8cba3050ae5b157b1
https://doi.org/10.2174/157340906778992337
https://doi.org/10.2174/157340906778992337
Autor:
Barbara I. Charton, Marvin Charton
Publikováno v:
Collection of Czechoslovak Chemical Communications. 69:2147-2173
In our analysis of the composition of lipophilicity parameters by the intermolecular force (IMF) model we have made use of nH, the number of OH and/or NH bonds, as a measure of the hydrogen donor capacity of a substituent; and nn, the number of lone
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0940c22da955949f94525799bc1a2009
https://doi.org/10.1135/cccc20042147
https://doi.org/10.1135/cccc20042147
Autor:
Marvin Charton
Publikováno v:
Journal of Computer-Aided Molecular Design. 17:197-209
Topological parameters are often used descriptors in QSAR and QSPR studies. Though easily generated from an appropriate algorithm useful in developing predictive models they are not readily interpretable. Though every molecule has an intrinsic topolo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2c47e8150c0bba55d2b593c681660673
https://doi.org/10.1023/a:1025378125128
https://doi.org/10.1023/a:1025378125128
Autor:
Barbara I. Charton, Marvin Charton
Publikováno v:
Journal of Physical Organic Chemistry. 16:715-720
It is shown that a correlation of some property, reactivity or biological activity with pure parameters can also be carried out with composite parameters to produce a model with comparable statistics. Modified composite electrical effect parameters c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::95d1f97afce116d4462d1605d267142e
https://doi.org/10.1002/poc.636
https://doi.org/10.1002/poc.636
Autor:
Marvin Charton, Barbara I. Charton
Publikováno v:
Journal of Computer-Aided Molecular Design. 17:211-221
The composition of thirty topological parameters of various types including the χ, κand τparameters and the Wiener indices was determined. Those derived from alkyl and substituted alkyl groups are a function of branching and steric effects; those
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::570014be04aaa2e08342cdf185d35c55
https://doi.org/10.1023/a:1025330209199
https://doi.org/10.1023/a:1025330209199
Autor:
Barbara I. Charton, Marvin Charton
Publikováno v:
Journal of Physical Organic Chemistry. 14:832-838
The transmission of the universal electrical effect in infrared stretching frequencies is well fit by the modified field effect model with m ≈ −1.5 ± 0.2. The considerable variation in rm/p, the ratio of transmission of the electrical effect thr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9d2238ded54aae103f36e43e98c1b263
https://doi.org/10.1002/poc.447
https://doi.org/10.1002/poc.447
Autor:
Marvin Charton
Publikováno v:
Journal of Physical Organic Chemistry. 12:275-282
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::808af6d711a007182f2337187744eecc
https://doi.org/10.1002/(sici)1099-1395(199904)12:4<275::aid-poc125>3.0.co
https://doi.org/10.1002/(sici)1099-1395(199904)12:4<275::aid-poc125>3.0.co
Autor:
Barbara I. Charton, Marvin Charton
Publikováno v:
Journal of the Chemical Society, Perkin Transactions 2. :2203-2211
The dependence of substituent electrical effect transmission on substituent–reaction site distance and on the charge on reactant and product or transition state has been studied in the systems X–G–Y and X–Y where X is a variable substituent,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2dccf0dd3e888ba880c5393a8d7bb3fa
https://doi.org/10.1039/a901495k
https://doi.org/10.1039/a901495k