Výsledky vyhledávání - "D S, Goodsell"

Docking of 4-oxalocrotonate tautomerase substrates: implications for the catalytic mechanism

Autor: T A, Soares, D S, Goodsell, J M, Briggs, R, Ferreira, A J, Olson

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

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::207540e0226df28e793f4f05b2280000
https://pubmed.ncbi.nlm.nih.gov/10397792

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Coevolution and subsite decomposition for the design of resistance-evading HIV-1 protease inhibitors

Autor: C D, Rosin, R K, Belew, W L, Walker, G M, Morris, A J, Olson, D S, Goodsell

Publikováno v: Journal of molecular biology. 287(1)

Drug resistance sharply limits the effectiveness of human immunodeficiency virus (HIV) protease inhibitors in acquired immunodeficiency syndrome therapy. In previous work, we presented methods for design of resistance-evading inhibitors using a compu

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::c1c4e1fa7e463fc867e71186c1c95926
https://pubmed.ncbi.nlm.nih.gov/10074408

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Design of stapled DNA-minor-groove-binding molecules with a mutable atom simulated annealing method

Autor: W L, Walker, M L, Kopka, R E, Dickerson, D S, Goodsell

Publikováno v: Journal of computer-aided molecular design. 11(6)

We report the design of optimal linker geometries for the synthesis of stapled DNA-minor-groove-binding molecules. Netropsin, distamycin, and lexitropsins bind side-by-side to mixed-sequence DNA and offer an opportunity for the design of sequence-rea

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::35c7b8b3af57e49c42dc20c8fedb99b8
https://pubmed.ncbi.nlm.nih.gov/9491346

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Progress in the design of DNA sequence-specific lexitropsins

Autor: W L, Walker, M L, Kopka, D S, Goodsell

Publikováno v: Biopolymers. 44(4)

Sequence-specific polyamides that bind in the minor groove of DNA are attractive candidates for antibiotics, cancer chemotherapeutics, and transcriptional antagonists. This paper reviews the progress of structure-based design of minor-groove-binding

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::bfaecf307e2b25b902c94cc08a6431da
https://pubmed.ncbi.nlm.nih.gov/9782774

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Automated docking of flexible ligands: applications of AutoDock

Autor: D S, Goodsell, G M, Morris, A J, Olson

Publikováno v: Journal of molecular recognition : JMR. 9(1)

AutoDock is a suite of C programs used to predict the bound conformations of a small, flexible ligand to a macromolecular target of known structure. The technique combines simulated annealing for conformation searching with a rapid grid-based method

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::4c6d4f7ccad55a96369c0f782970701c
https://pubmed.ncbi.nlm.nih.gov/8723313

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The crystal structure of C-C-A-T-T-A-A-T-G-G. Implications for bending of B-DNA at T-A steps

Autor: D S, Goodsell, M, Kaczor-Grzeskowiak, R E, Dickerson

Publikováno v: Journal of molecular biology. 239(1)

The single-crystal X-ray analysis of trigonal C-C-A-T-T-A-A-T-G-G, and its comparison with orthorhombic C-G-A-T-T-A-A-T-C-G, have shown that the A-T-T-A-A-T sequence has limited polymorphism under the influence of packing forces from neighboring mole

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::ae005c752914428832887110ad3346f9
https://pubmed.ncbi.nlm.nih.gov/8196049

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