Zobrazeno 1 - 10
of 16
pro vyhledávání: '"J M, Briggs"'
Autor:
K W, Lee, J M, Briggs
Publikováno v:
Journal of computer-aided molecular design. 15(1)
A three-dimensional quantitative structure-activity relationship (3D QSAR) study has been carried out on epothilones based on comparative molecular field analyses (CoMFA) using a large data set of epothilone analogs, which are potent inhibitors of tu
Publikováno v:
Journal of molecular recognition : JMR. 13(3)
The macrophage migration inhibitory factor (MIF) is a cytokine that is structurally similar to certain isomerases and for which multiple immune and catalytic roles have been proposed. Different catalytic activities have been reported for MIF, yet the
Autor:
Roberto D. Lins, W L Jorgensen, K M Masukawa, J A McCammon, J M Briggs, Frederic D. Bushman, Heather A. Carlson, Kathleen Rubins
Publikováno v:
Journal of medicinal chemistry. 43(11)
We present the first receptor-based pharmacophore model for HIV-1 integrase. The development of "dynamic" pharmacophore models is a new method that accounts for the inherent flexibility of the active site and aims to reduce the entropic penalties ass
Publikováno v:
Biopolymers. 53(4)
The HIV-1 integrase, which is essential for viral replication, catalyzes the insertion of viral DNA into the host chromosome thereby recruiting host cell machinery into making viral proteins. It represents the third main HIV enzyme target for inhibit
Publikováno v:
Molecular pharmacology. 56(3)
Intrastrand DNA adducts formed by cisplatin and oxaliplatin were modeled with molecular mechanics minimization and restrained molecular dynamics simulations in a comparative study. A reasonable set of force field parameters for the Pt atom were refin
Publikováno v:
Biopolymers. 50(3)
The enzyme 4-oxalocrotonate tautomerase catalyzes the ketonization of dienols, which after further processing become intermediates in the Krebs cycle. The enzyme uses a general acid-base mechanism for proton transfer: the amino-terminal proline has b
Publikováno v:
Biopolymers. 46(7)
It is known that anionic surface residues play a role in the long-range electrostatic attraction between acetylcholinesterase and cationic ligands. In our current investigation, we show that anionic residues also play an important role in the behavio
Publikováno v:
Biopolymers. 45(5)
The utility of the average Boltzmann factor around the active site of an enzyme as the predictor of the electrostatic enhancement of the substrate binding rate is tested on a set of data on wild-type acetylcholinesterase and 18 charge mutants recentl
Autor:
J M, Briggs
Publikováno v:
Technology and culture. 38(3)
Autor:
J M, Briggs, L H, Beazlie
Publikováno v:
The Nursing clinics of North America. 31(4)
Examining the impact of endocrine disregulation is useful in managing symptoms of HIV infection in its later stages. Current studies indicate insults to the endocrine system from a variety of agents present in HIV infection. Establishing direct patho