Application of a polarizable force field to calculations of relative protein-ligand binding affinities.

abstract：:The p53 tumor-suppressor protein is a critical mediator of cellular growth arrest and the induction of apoptosis. To identify proteins involved in the modulation of p53 transcriptional activity, a gain-of-function cellular screen was carried out with an arrayed matrix of approximately 20,000 cDNAs. Nine genes previous...

journal_title：Proceedings of the National Academy of Sciences of the United States of America

authors： Huang Q,Raya A,DeJesus P,Chao SH,Quon KC,Caldwell JS,Chanda SK,Izpisua-Belmonte JC,Schultz PG

更新日期：2004-03-09 00:00:00

abstract：:This paper's findings suggest that an arbitrary Chinese policy that greatly increases total suspended particulates (TSPs) air pollution is causing the 500 million residents of Northern China to lose more than 2.5 billion life years of life expectancy. The quasi-experimental empirical approach is based on China's Huai ...

journal_title：Proceedings of the National Academy of Sciences of the United States of America

authors： Chen Y,Ebenstein A,Greenstone M,Li H

更新日期：2013-08-06 00:00:00

abstract：:Ovine pulmonary surfactant is bactericidal for Pasteurella haemolytica when surfactant and bacteria mixtures are incubated with normal ovine serum. To isolate this component, surfactant (1 mg/ml) was centrifuged at 100,000 x gav, and the supernatant was fractionated by HPLC. Fractions were eluted with acetonitrile (10...

journal_title：Proceedings of the National Academy of Sciences of the United States of America

authors： Brogden KA,De Lucca AJ,Bland J,Elliott S

更新日期：1996-01-09 00:00:00

abstract：:Recent studies have shown that human cytomegalovirus (HCMV) can induce a robust increase in lipid synthesis which is critical for the success of infection. In mammalian cells the central precursor for lipid biosynthesis, cytosolic acetyl CoA (Ac-CoA), is produced by ATP-citrate lyase (ACLY) from mitochondria-derived c...

journal_title：Proceedings of the National Academy of Sciences of the United States of America

authors： Vysochan A,Sengupta A,Weljie AM,Alwine JC,Yu Y

更新日期：2017-02-21 00:00:00

abstract：:Although the mechanisms of anterior-posterior axis formation are well understood in Drosophila, both embryological and molecular studies suggest significant variation in the mechanisms generating this axis within the Insecta class as a whole. ...

journal_title：Proceedings of the National Academy of Sciences of the United States of America

authors： Patel NH

更新日期：2000-04-25 00:00:00

abstract：:Two cDNAs encoding two human receptors for retinoic acid (RA), RAR-alpha and RAR-beta, have been characterized recently. Synthetic peptides corresponding to the cDNA-deduced amino acid sequences unique to RAR-alpha and RAR-beta were used to generate anti-RAR-alpha antiserum (SP171) and anti-RAR-beta antisera (SP172 an...

journal_title：Proceedings of the National Academy of Sciences of the United States of America

authors： Gaub MP,Lutz Y,Ruberte E,Petkovich M,Brand N,Chambon P

更新日期：1989-05-01 00:00:00

abstract：:A comparison of five constant region sequences of human and mouse k and lambda immunoglobulin chains has been undertaken in order to reveal sequence homologies and evolutionary relationships. Simultaneously, a comparison with the three-dimensional structure of one mouse k-chain (McPC 603) has suggested structural reas...

journal_title：Proceedings of the National Academy of Sciences of the United States of America

authors： Kabat EA,Padlan EA,Davies DR

更新日期：1975-07-01 00:00:00

abstract：:Tetherin/BST2 is a type-II membrane protein that inhibits the release of a range of enveloped viruses, including HIV-1. Here we report three crystal structures of human tetherin, including the full-length ectodomain, a triple cysteine mutant and an ectodomain truncation. These structures show that tetherin forms a con...

journal_title：Proceedings of the National Academy of Sciences of the United States of America

authors： Yang H,Wang J,Jia X,McNatt MW,Zang T,Pan B,Meng W,Wang HW,Bieniasz PD,Xiong Y

更新日期：2010-10-26 00:00:00

abstract：:Albatrosses (Diomedeidae) do not occur in the North Atlantic Ocean today except as vagrants, although five species were present in the early Pliocene. No fossil breeding sites of albatrosses were known previously. The timing of extinction of albatrosses in the North Atlantic was likewise unknown. Deposits that formed ...

journal_title：Proceedings of the National Academy of Sciences of the United States of America

authors： Olson SL,Hearty PJ

更新日期：2003-10-28 00:00:00

abstract：:Diabetic peripheral neuropathy (DPN) is the most common complication in both type 1 and type 2 diabetes. Here we studied some phenotypic features of a well-established animal model of type 2 diabetes, the leptin receptor-deficient db(-)/db(-) mouse, and also the effect of long-term (6 mo) treatment with coenzyme Q10 (...

journal_title：Proceedings of the National Academy of Sciences of the United States of America

authors： Shi TJ,Zhang MD,Zeberg H,Nilsson J,Grünler J,Liu SX,Xiang Q,Persson J,Fried KJ,Catrina SB,Watanabe M,Arhem P,Brismar K,Hökfelt TG

更新日期：2013-01-08 00:00:00

abstract：:Expression of the transcription factor FOXC2 is induced and necessary for successful epithelial-mesenchymal transition, a developmental program that when activated in cancer endows cells with metastatic potential and the properties of stem cells. As such, identifying agents that inhibit the growth of FOXC2-transformed...

journal_title：Proceedings of the National Academy of Sciences of the United States of America

authors： Bollong MJ,Pietilä M,Pearson AD,Sarkar TR,Ahmad I,Soundararajan R,Lyssiotis CA,Mani SA,Schultz PG,Lairson LL

更新日期：2017-11-14 00:00:00

abstract：:A single catalytic site model is proposed to account for the multiphasic kinetics of oxidation of ferrocytochrome c by cytochrome c oxidase (ferrocytochrome c:oxygen oxidoreductase, EC 1.9.3.1). This model involves nonproductive binding of substrate to sites near the catalytic site on cytochrome c oxidase for cytochro...

journal_title：Proceedings of the National Academy of Sciences of the United States of America

authors： Speck SH,Dye D,Margoliash E

更新日期：1984-01-01 00:00:00

abstract：:The polypeptide precursor pr76 to the internal viral group specific (gs) antigen proteins of Rous sarcoma virus, synthesized in a cell-free system of ascites cells, has been processed in vitro into the viral proteins by purified viral protein p15 as well as by disrupted Rous sarcoma virus. Disrupted Rauscher murine le...

journal_title：Proceedings of the National Academy of Sciences of the United States of America

authors： von der Helm K

更新日期：1977-03-01 00:00:00

abstract：:We present a physical and molecular genetic characterization of Drosophila melanogaster TFIIE (dTFIIE), a component of the basal RNA polymerase II transcription apparatus. We have purified dTFIIE to near homogeneity from nuclear extracts of Drosophila embryos and found that it is composed of two subunits with apparent...

journal_title：Proceedings of the National Academy of Sciences of the United States of America

authors： Wang X,Hansen SK,Ratts R,Zhou S,Snook AJ,Zehring W

更新日期：1997-01-21 00:00:00

abstract：:Three classes of heterogeneous nuclear RNA (HnRNA) alpha, beta, and gamma, with different chemical and physical properties, can be identified in the early sea urchin embryo by hybridization with poly(U). The relative amounts of these classes vary as a function of embryonic development. It is demonstrated here that the...

journal_title：Proceedings of the National Academy of Sciences of the United States of America

authors： Dubroff LM

更新日期：1977-06-01 00:00:00

abstract：:In most macroscale robotic systems, propulsion and controls are enabled through a physical tether or complex onboard electronics and batteries. A tether simplifies the design process but limits the range of motion of the robot, while onboard controls and power supplies are heavy and complicate the design process. Here...

journal_title：Proceedings of the National Academy of Sciences of the United States of America

authors： Chen T,Bilal OR,Shea K,Daraio C

更新日期：2018-05-29 00:00:00

abstract：:The amount of information that can be stored in working memory is limited but may be improved with practice. The basis of improved efficiency at the level of neural activity is unknown. To investigate this question, we trained monkeys to perform a working memory task that required memory for multiple stimuli. Performa...

journal_title：Proceedings of the National Academy of Sciences of the United States of America

authors： Tang H,Qi XL,Riley MR,Constantinidis C

更新日期：2019-04-02 00:00:00

abstract：:Characteristic patterns of gene expression measured by DNA microarrays have been used to classify tumors into clinically relevant subgroups. In this study, we have refined the previously defined subtypes of breast tumors that could be distinguished by their distinct patterns of gene expression. A total of 115 malignan...

journal_title：Proceedings of the National Academy of Sciences of the United States of America

authors： Sorlie T,Tibshirani R,Parker J,Hastie T,Marron JS,Nobel A,Deng S,Johnsen H,Pesich R,Geisler S,Demeter J,Perou CM,Lønning PE,Brown PO,Børresen-Dale AL,Botstein D

更新日期：2003-07-08 00:00:00

abstract：:We report the application of quantitative mass spectrometry to identify plasma membrane proteins differentially expressed in melanoma cells with high vs. low metastatic abilities. Using stable isotope labeling with amino acids in culture (SILAC) coupled with nanospray tandem mass spectrometry, we identified CUB-domain...

journal_title：Proceedings of the National Academy of Sciences of the United States of America

authors： Liu H,Ong SE,Badu-Nkansah K,Schindler J,White FM,Hynes RO

更新日期：2011-01-25 00:00:00

abstract：:Painful peripheral neuropathies are precipitated by nerve injury from disease or trauma. All such injuries will be accompanied by an inflammatory reaction, a neuritis, that will mobilize the immune system. The role of the inflammation itself is difficult to determine in the presence of structural damage to the nerve. ...

journal_title：Proceedings of the National Academy of Sciences of the United States of America

authors： Bennett GJ

更新日期：1999-07-06 00:00:00

abstract：:A full-length cDNA for tryptophan hydroxylase was cloned from rabbit pineal body by screening an expression library with antibody against rat phenylalanine hydroxylase, which crossreacts with rabbit tryptophan hydroxylase. Clones producing immunoreactive material contain sequences homologous to, yet distinct from, phe...

journal_title：Proceedings of the National Academy of Sciences of the United States of America

authors： Grenett HE,Ledley FD,Reed LL,Woo SL

更新日期：1987-08-01 00:00:00

abstract：:A sequence-specific single-stranded DNA-binding protein from the trypanosomatid protozoan Crithidia fasciculata binds to a sequence of 12 nucleotides located at the origin of replication of kinetoplast DNA minicircles. This sequence, termed the universal minicircle sequence (UMS), is conserved in the kinetoplast DNA m...

journal_title：Proceedings of the National Academy of Sciences of the United States of America

authors： Tzfati Y,Abeliovich H,Kapeller I,Shlomai J

更新日期：1992-08-01 00:00:00

abstract：:Understanding how changes in antibiotic consumption affect the prevalence of antibiotic resistance in bacterial pathogens is important for public health. In a number of bacterial species, including Streptococcus pneumoniae, the prevalence of resistance has remained relatively stable despite prolonged selection pressur...

journal_title：Proceedings of the National Academy of Sciences of the United States of America

authors： Lehtinen S,Blanquart F,Croucher NJ,Turner P,Lipsitch M,Fraser C

更新日期：2017-01-31 00:00:00

abstract：:A mathematical analysis of the formation of hemolytic plaques in agar is presented. The results can be used to calculate the rate constant for antigen-antibody association and the distribution of antibody secretion rates. The limitations of the treatment and estimates of the expected errors involved are briefly discus...

journal_title：Proceedings of the National Academy of Sciences of the United States of America

authors： De Lisi CP,Bell GI

更新日期：1974-01-01 00:00:00

abstract：:We present whole-genome assemblies of four divergent Arabidopsis thaliana strains that complement the 125-Mb reference genome sequence released a decade ago. Using a newly developed reference-guided approach, we assembled large contigs from 9 to 42 Gb of Illumina short-read data from the Landsberg erecta (Ler-1), C24,...

journal_title：Proceedings of the National Academy of Sciences of the United States of America

authors： Schneeberger K,Ossowski S,Ott F,Klein JD,Wang X,Lanz C,Smith LM,Cao J,Fitz J,Warthmann N,Henz SR,Huson DH,Weigel D

更新日期：2011-06-21 00:00:00

abstract：:Ribosomal RNA (rRNA) genes are down-regulated during osteogenesis, myogenesis, and adipogenesis, necessitating a mechanistic understanding of interrelationships between growth control and phenotype commitment. Here, we show that cell fate-determining factors [MyoD, myogenin (Mgn), Runx2, C/EBPbeta] occupy rDNA loci an...

journal_title：Proceedings of the National Academy of Sciences of the United States of America

authors： Ali SA,Zaidi SK,Dacwag CS,Salma N,Young DW,Shakoori AR,Montecino MA,Lian JB,van Wijnen AJ,Imbalzano AN,Stein GS,Stein JL

更新日期：2008-05-06 00:00:00

abstract：:The highly productive coastal Mediterranean fishery off the Nile River delta collapsed after the completion of the Aswan High Dam in 1965. But the fishery has been recovering dramatically since the mid-1980s, coincident with large increases in fertilizer application and sewage discharge in Egypt. We use stable isotope...

journal_title：Proceedings of the National Academy of Sciences of the United States of America

authors： Oczkowski AJ,Nixon SW,Granger SL,El-Sayed AF,McKinney RA

更新日期：2009-02-03 00:00:00

abstract：:In vertebrate retinal photoreceptors, photoisomerization of opsin-bound visual chromophore 11-cis-retinal to all-trans-retinal triggers phototransduction events. Regeneration of the chromophore is a critical step in restoring photoreceptors to their dark-adapted state. This regeneration process, called the retinoid cy...

journal_title：Proceedings of the National Academy of Sciences of the United States of America

authors： Golczak M,Kuksa V,Maeda T,Moise AR,Palczewski K

更新日期：2005-06-07 00:00:00

abstract：:In this work, we report on studies of the nature of the dynamics and hydrophobic binding in cyclodextrins and human serum albumin protein complexes with orange II. With femtosecond time resolution, we examined the proton-transfer and trans-cis isomerization reactions of the ligand in these nanocavities and in pure sol...

journal_title：Proceedings of the National Academy of Sciences of the United States of America

authors： Douhal A,Sanz M,Tormo L

更新日期：2005-12-27 00:00:00

abstract：:To characterize the region on human IgG1 responsible for its high-affinity interaction with the human Fc gamma receptor class I (Fc gamma RI), we have analyzed the binding properties of a series of genetically engineered chimeric antidinitrophenyl antibodies with identical murine antibody combining sites and hybrid Ig...

journal_title：Proceedings of the National Academy of Sciences of the United States of America

authors： Chappel MS,Isenman DE,Everett M,Xu YY,Dorrington KJ,Klein MH

更新日期：1991-10-15 00:00:00