Zobrazeno 1 - 10
of 154
pro vyhledávání: '"H. A. Scheraga"'
Publikováno v:
TASK Quarterly, Vol 18, Iss 3 (2014)
The need to interpret experimental results led to, first, an all-atom force field, followed by a coarse-grained one. As an aid to these force fields, a new approach is introduced here to predict protein structure based on the physical properties of t
Externí odkaz:
https://doaj.org/article/c754e60d6d7549e69f9864f4e159c57a
Autor:
K. D. Gibson, H. A. Scheraga
Publikováno v:
The Journal of Physical Chemistry. 99:3765-3773
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3ae45dc1d05c7263fec12926c99fd0cf
https://doi.org/10.1021/j100011a052
https://doi.org/10.1021/j100011a052
Autor:
H. A. Scheraga, K. D. Gibson
Publikováno v:
The Journal of Physical Chemistry. 99:3752-3764
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::05c2e43c79f7f805ddfae3c7cdc237c4
https://doi.org/10.1021/j100011a051
https://doi.org/10.1021/j100011a051
Publikováno v:
Biochemistry. 34:2566-2576
1D and 2D NMR spectroscopy is used to determine the helical stability of two Aib-rich peptides, iBoc-(Aib)3-DkNap-Leu-Aib-Ala-(Aib)2-NH(CH2)2OCH3 (Dk4[7/9]) and Ac-(Aib)2-beta-(1'-naphthyl)Ala-(Aib)2-Phe-(Aib)2-NHMe (Nap3Phe6[6/8]), where the bracket
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9186d3dbd25b20bf00646c5550d4c17a
https://doi.org/10.1021/bi00008a022
https://doi.org/10.1021/bi00008a022
Publikováno v:
The Journal of Physical Chemistry. 97:267-270
The self-consistent multitorsional field (SCMTF) method for global optimization of the conformational energy of polypeptides has been tested with the 20-residue membrane-bound portion of melittin. A new rapid method for calculating the effective pote
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::318d17df6e6941a59692a7956d526585
https://doi.org/10.1021/j100103a046
https://doi.org/10.1021/j100103a046
Publikováno v:
The Journal of Physical Chemistry. 97:260-266
Tests of the self-consistent multitorsional field (SCMTF) method for global optimization of the conformational energy of decaglycine (10-residue polyglycine) and icosalanine (20-residue poly-L-alanine) show that it is applicable for global minimizati
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3380a6c75d08ea612e4395fc1c223b3b
https://doi.org/10.1021/j100103a045
https://doi.org/10.1021/j100103a045
Autor:
H. A. SCHERAGA
Publikováno v:
ChemInform. 27
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f54bf8233ec64b7efdea83f0e9619d51
https://doi.org/10.1002/chin.199607328
https://doi.org/10.1002/chin.199607328
Publikováno v:
The Journal of Physical Chemistry. 96:5138-5145
In this paper, we investigate the behavior of the recently developed diffusion equation method (DEM) for water cluster The DEM is a global optimization method that involves the deformation of the potential energy surface to remove local minima of hig
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::aa2f2baa308e121aa2060815064e6314
https://doi.org/10.1021/j100191a071
https://doi.org/10.1021/j100191a071
Autor:
C. M. Falcomer, Y. C. Meinwald, I. Choudhary, S. Talluri, P. J. Milburn, Jon Clardy, H. A. Scheraga
Publikováno v:
Journal of the American Chemical Society. 114:4036-4042
Six tetrapeptides of amino acid sequence Ac-Cys-Pro-X-Cys-NHMe, where X=Asn, Gly, Ser, Phe, Val, and Aib, respectively, were synthesized, and the molecular structures of the cyclic forms of two of them (with X=Ser and Val, respectively) were determin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4b89183eb6b69887ac365e96480e6397
https://doi.org/10.1021/ja00037a003
https://doi.org/10.1021/ja00037a003
Publikováno v:
The Journal of Physical Chemistry. 96:4672-4676
A self-consistent multitorsional field (SCMTF) method of global optimization of the conformational energy of an oligopeptide is proposed. The method is based on the idea that the maximum of the square of the ground-state wave function is very often c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::db08574dce0733fbefcf88693df76e64
https://doi.org/10.1021/j100190a096
https://doi.org/10.1021/j100190a096