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Implicit solvent models approximate the effects of solvent through a potential of mean force and therefore make solvated simulations computationally efficient. Yet despite their computational efficiency, the inherent approximations made by implicit solvent models can sometimes lead to inaccurate results. To test the accuracy of a number of popular implicit solvent models, we determined whether implicit solvent simulations can reproduce the set of potential energy minima obtained from explicit solvent simulations. For these studies, we focus on a six-residue amino-acid sequence, referred to as the paired helical filament 6 (PHF6), which may play an important role in the formation of intracellular aggregates in patients with Alzheimer's disease. Several implicit solvent models form the basis of this work--two based on the generalized Born formalism, and one based on a Gaussian solvent-exclusion model. All three implicit solvent models generate minima that are in good agreement with minima obtained from simulations with explicit solvent. Moreover, free-energy profiles generated with each implicit solvent model agree with free-energy profiles obtained with explicit solvent. For the Gaussian solvent-exclusion model, we demonstrate that a straightforward ranking of the relative stability of each minimum suggests that the most stable structure is extended, a result in excellent agreement with the free-energy profiles. Overall, our data demonstrate that for some peptides like PHF6, implicit solvent can accurately reproduce the set of local energy minimum arising from quenched dynamics simulations with explicit solvent. More importantly, all solvent models predict that PHF6 forms extended beta-structures in solution, a finding consistent with the notion that PHF6 initiates neurofibrillary tangle formation in patients with Alzheimer's disease.  相似文献   
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Merremia dissecta was first discovered in the Caribbean, then Florida, Mexico, and later in the Old World, where it had been introduced. Historically and currently, the species has been used as a condiment, medicine, and ornamental by an array of cultures. Although the plant has escaped in several areas to become a weed, it continues being sold as an ornament in even those regions. In Argentina, roots ofM. dissecta var. edentata are still used as food by a few indigenous groups. History, uses, and chemistry are discussed regarding these utilizations.
Merremia dissecta (Convolvulaceas): Un condimento, medicina, ornamental, y maleza— Una revista
Resumen  Merremia dissecta fue primeramente descubierta en el Caribe, luego en la Florida, México y más tarde fue introducida en el Viejo Mundo. Históricamente y aún actualmente se ha usado como condimento, medicina, y ornamentatión por varias culturas. A pesar de que en varias áreas se ha transformado en una mala hierba, se continua vendiendo como un ornamento aún en esas areas. En Argentina, as raices deM. dissecta var. edentata aún son usadas como alimento por unos cuantos grupos indígenas. La historia, los usos y la química de estas utilizaciónes son aquí discutidas.
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Selenoprotein P (Sepp1) has two domains with respect to selenium content: the N-terminal, selenium-poor domain and the C-terminal, selenium-rich domain. To assess domain function, mice with deletion of the C-terminal domain have been produced and compared with Sepp1-/- and Sepp1+/+ mice. All mice studied were males fed a semipurified diet with defined selenium content. The Sepp1 protein in the plasma of mice with the C-terminal domain deleted was determined by mass spectrometry to terminate after serine 239 and thus was designated Sepp1Delta240-361. Plasma Sepp1 and selenium concentrations as well as glutathione peroxidase activity were determined in the three types of mice. Glutathione peroxidase and Sepp1Delta240-361 accounted for over 90% of the selenium in the plasma of Sepp1Delta240-361 mice. Calculations using results from Sepp1+/+ mice revealed that Sepp1, with a potential for containing 10 selenocysteine residues, contained an average of 5 selenium atoms per molecule, indicating that shortened and/or selenium-depleted forms of the protein were present in these wild-type mice. Sepp1Delta240-361 mice had low brain and testis selenium concentrations that were similar to those in Sepp1-/- mice but they better maintained their whole body selenium. Sepp1Delta240-361 mice had depressed fertility, even when they were fed a high selenium diet, and their spermatozoa were defective and morphologically indistinguishable from those of selenium-deficient mice. Neurological dysfunction and death occurred when Sepp1Delta240-361 mice were fed selenium-deficient diet. These phenotypes were similar to those of Sepp1-/- mice but had later onset or were less severe. The results of this study demonstrate that the C terminus of Sepp1 is critical for the maintenance of selenium in brain and testis but not for the maintenance of whole body selenium.  相似文献   
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Capsule: The 2007 national survey of the UK breeding population of Little Ringed Plovers shows a further spread into Scotland and Wales since the previous survey in 1984. In contrast, there has been a significant decrease in the Ringed Plover breeding population.

Aims: To provide new breeding population estimates in the UK and Great Britain for Little Ringed Plover Charadrius dubius and Ringed Plover Charadrius hiaticula in 2007 and investigate changes in breeding distribution and habitat use since 1984.

Methods: Breeding population estimates were made by combining counts of pairs from ‘key sites’ (2?×?2?km tetrads known to be occupied in/since 1984) and estimates of the numbers of pairs away from these sites based on stratified sampling. Survey periods for Little Ringed Plover: 15 April to 15 July, three visits; Ringed Plover: 15 April to 30 June, two visits.

Results: Population estimates, for 2007, of 1239 (95% confidence intervals: 1175–1311) pairs of Little Ringed Plover and 5291 (5106–5478) pairs of Ringed Plovers were calculated for Great Britain, with 5438 (5257–5622) pairs of Ringed Plover estimated in the UK. Counts of Ringed Plover at inland and coastal sites, covered in both 1984 and 2007, decreased by 83% and 53%, respectively. The Little Ringed Plover population has expanded in range northward and westward since 1984. Main habitats used in 2007 by Little Ringed Plover were inland gravel and sand (25.9%) and river shingle (17.8%); and, for Ringed Plover, coastal shingle and sand (38.5% and 13.7%, respectively) and machair plus associated habitats (23.8%) in the Outer Hebrides.

Conclusions: Between 1984 and 2007, the Little Ringed Plover breeding population in the UK increased considerably, expanding northward and westward, with increased use of river shingle habitats. During the same period Ringed Plover breeding numbers in the UK declined considerably in both coast and inland habitats, likely to be due to human disturbance and habitat change, respectively.  相似文献   
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We compared baseline and maximal cortisol concentrations between predator exposure and prey blood samples in pumpkinseed Lepomis gibbosus, captured using a standardised fishing event underneath osprey Pandion haliaetus nests and away from osprey nests. We did not detect differences in cortisol or glucose between sites. These findings suggest that predictable sources of predation risk may not confer stress-related costs in teleosts.  相似文献   
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