Zobrazeno 1 - 10
of 20
pro vyhledávání: '"A R, Poirrette"'
Publikováno v:
Journal of Computer-Aided Molecular Design. 11:557-569
A genetic algorithm (GA) is described which is used to compare the solvent-accessible surfaces of two proteins or fragments of proteins, represented by a dot surface calculated using the Connolly algorithm. The GA is used to move one surface relative
Publikováno v:
Nature Structural & Molecular Biology. 2:117-120
Structural comparison identifies a similar basic fold for two enzymes which are involved in the phosphate-dependent formation or breakdown of oxygen-sugar linkages
Publikováno v:
Journal of Chemical Information and Computer Sciences. 34:141-147
This paper compares several fragment-based measures that can be used to quantify the degree of similarity between pairs of three-dimensional (3-D) chemical structures. The fragments that are considered contain two, three, or four atoms and encode dis
Autor:
Catherine A. Pepperrell, Peter Willett, Helen M. Grindley, Andrew R. Poirrette, Frank H. Allen, Peter A. Bath, David J. Wild, David A. Thorner, Peter J. Artymiuk, Robin Taylor, David W. Rice
Publikováno v:
ChemInform. 24
Publikováno v:
Pesticide Science. 33:97-111
This paper discusses a procedure for calculating the degree of similarity between an input target molecule and each of the molecules in a database of 3D chemical structures. A mapping procedure is used to identify pairs of atoms, one from each of the
Publikováno v:
Tetrahedron Computer Methodology. 3:37-46
This paper describes algorithms that select a set of fragment screens for chemical substructure searching. The algorithms take as input an alphanumerically ordered list of fragments, together with their frequencies of occurrence, and produce as outpu
Publikováno v:
Journal of Chemical Information and Computer Sciences. 35:714-716
It has been suggested that the radius-diameter diagram provides an effective characterization of the graphtheoretical and the geometric shapes of molecules and that these two types of shape are correlated with each other. This paper reports an analys
Publikováno v:
Nature Structural Biology. 1:758-760
Comparison of BirA and SerRS reveals a striking similarity between their catalytic domains and suggests the possibility of a remote evolutionary realationship
Publikováno v:
Journal of computer-aided molecular design. 11(6)
A genetic algorithm (GA) is described which is used to compare the solvent-accessible surfaces of two proteins or fragments of proteins, represented by a dot surface calculated using the Connolly algorithm. The GA is used to move one surface relative
Publikováno v:
Nature. 388(6637)
Zhang et al.1 recently reported the long-awaited structure determination of one of the catalytic core domains of eukaryotic adenylyl cyclase, which promises a greater understanding of the regulatory mechanisms associated with the use of cyclic AMP as