Results 61 to 70 of about 596,536 (272)

Introdução a modelagem molecular de fármacos no curso experimental de química farmacêutica

Química Nova, 2003
Molecular Modeling is an important tool in drug design and it is very useful to predict biological activity from a library of compounds. A wide variety of computer programs and methods have been developed to visualize the tridimensional geometry and ...
Carvalho Ivone, Pupo Mônica T., Borges Áurea D. L., Bernardes Lílian S. C.   +3 more
doaj  

Nonparametric inference of doubly stochastic Poisson process data via the kernel method

, 2011
Doubly stochastic Poisson processes, also known as the Cox processes, frequently occur in various scientific fields. In this article, motivated primarily by analyzing Cox process data in biophysics, we propose a nonparametric kernel-based inference ...
Kou, S. C., Zhang, Tingting
core   +1 more source

Snf2 family ATPases and DExx box helicases:differences and unifying concepts from high-resolution crystal structures [PDF]

, 2006
Proteins with sequence similarity to the yeast Snf2 protein form a large family of ATPases that act to alter the structure of a diverse range of DNA–protein structures including chromatin. Snf2 family enzymes are related in sequence to DExx box helicases,
Aasland, Ahne, Akhtar, Andrew Flaus, Asturias, Auble, Auble, Auble, Bazett-Jones, Becker, Beerens, Bouazoune, Boyer, Boyer, Briggs, Caruthers, Corona, Cote, Dasgupta, Davis, Deaconescu, Dhalluin, Dumont, Durr, Eisen, Fan, Fitzgerald, Flaus, Flaus, Goldmark, Gorbalenya, Grune, Harald Dürr, Havas, Hishida, Ito, Jaskelioff, Kagalwala, Karl-Peter Hopfner, Kawaoka, Kim, Laurent, Laurent, Levin, Levin, Lia, Mahdi, Mannhaupt, Mizuguchi, Morillon, Myong, Peterson, Petukhova, Petukhova, Phelan, Pray-Grant, Quinn, Richmond, Ristic, Saha, Saha, Schild, Sengoku, Serebrov, Shen, Shinohara, Simic, Sims, Singleton, Singleton, Singleton, Smith, Soultanas, Sprouse, Stanley, Studitsky, Subramanya, Sukhodolets, Svejstrup, Swagemakers, Tai, Thoma, Tom Owen-Hughes, Tran, Tsukiyama, van den Boom, van Gool, Van Komen, Velankar, Wang, Whitehouse, Woudstra, Yu, Yu, Zhang, Zofall   +95 more
core   +4 more sources

Disordered but rhythmic—the role of intrinsic protein disorder in eukaryotic circadian timing

FEBS Letters, EarlyView.
Unstructured domains known as intrinsically disordered regions (IDRs) are present in nearly every part of the eukaryotic core circadian oscillator. IDRs enable many diverse inter‐ and intramolecular interactions that support clock function. IDR conformations are highly tunable by post‐translational modifications and environmental conditions, which ...
Emery T. Usher, Jacqueline F. Pelham
wiley   +1 more source

Co-populated Conformational Ensembles of β(2)-Microglobulin Uncovered Quantitatively by Electrospray Ionization Mass Spectrometry [PDF]

, 2004
Ordered assembly of monomeric human β(2)-microglobulin (β(2)m) into amyloid fibrils is associated with the disorder hemodialysis-related amyloidosis. Previously, we have shown that under acidic conditions (pH
Bjorkman, Cech, Chiti, Chiti, Chowdhury, Dobo, Dobson, Esposito, Felitsyn, Fenn, Fenn, Floege, Ganem, Gejyo, Gejyo, Gorevic, Goto, Grandori, Grandori, Hill, Hoshino, Jones, Kad, Kad, Kaltashov, Karlsson, Katou, Khan, Konermann, Konermann, Kraulis, Mayer, McParland, McParland, Mirza, Morgan, Ohashi, Pitkanen, Robinson, Samalikova, Samalikova, Saper, Selkoe, Siuzdak, Smith, Wanker, Yamaguchi   +46 more
core   +1 more source

Protein pyrophosphorylation by inositol pyrophosphates — detection, function, and regulation

FEBS Letters, EarlyView.
Protein pyrophosphorylation is an unusual signaling mechanism that was discovered two decades ago. It can be driven by inositol pyrophosphate messengers and influences various cellular processes. Herein, we summarize the research progress and challenges of this field, covering pathways found to be regulated by this posttranslational modification as ...
Sarah Lampe, Tanmay Kumar Mohanty, Rashna Bhandari, Dorothea Fiedler   +3 more
wiley   +1 more source

The RCK2 domain of the human BKCa channel is a calcium sensor [PDF]

, 2008
Large conductance voltage and Ca2+-dependent K+ channels (BKCa) are activated by both membrane depolarization and intracellular Ca2+. Recent studies on bacterial channels have proposed that a Ca2+-induced conformational change within specialized ...
Albright, Braun, C. S. Gandhi, Chakrapani, Corbett, Diaz, Gales, Gribkoff, Jiang, Jiang, Kelly, Latorre, M. Ottolia, N. Savalli, Pallotta, Patton, R. Olcese, Roosild, Sali, Salkoff, Schreiber, Schreiber, Shen, Shi, Sreerama, Sreerama, Stefani, T. Yusifov, Tang, Tomaselli, Venyaminov, Wallner, Xia, Ye, Zimmer   +34 more
core   +3 more sources

Substrate specificity of Burkholderia pseudomallei multidrug transporters is influenced by the hydrophilic patch in the substrate‐binding pocket

FEBS Letters, EarlyView.
Multidrug transporters BpeB and BpeF from the Gram‐negative pathogen Burkholderia pseudomallei have a hydrophilic patch in their substrate‐binding pocket. Drug susceptibility tests and growth curve analyses using an Escherichia coli recombinant expression system revealed that the hydrophilic patches of BpeB and BpeF are involved in the substrate ...
Ui Okada, Satoshi Murakami
wiley   +1 more source

Function‐driven design of a surrogate interleukin‐2 receptor ligand

FEBS Letters, EarlyView.
Interleukin (IL)‐2 signaling can be achieved and precisely fine‐tuned through the affinity, distance, and orientation of the heterodimeric receptors with their ligands. We designed a biased IL‐2 surrogate ligand that selectively promotes effector T and natural killer cell activation and differentiation. Interleukin (IL) receptors play a pivotal role in
Ziwei Tang, Zelin Cheng, Teng Li, Fulian Wang, Liangminghui Zhang, Xiuxiu He, Lili Liu, Wei Wang, Aibin Liang, Guang Yang   +9 more
wiley   +1 more source

Analysis of Binding Site Hot Spots on the Surface of Ras GTPase [PDF]

, 2011
We have recently discovered an allosteric switch in Ras, bringing an additional level of complexity to this GTPase whose mutants are involved in nearly 30% of cancers.
Buhrman, Greg, Kearney, Bradley M., Kovrigina, Elizaveta A., Kovriguine, Evgueni, Kozakov, Dima, Mattos, Carla, Napoleon, Raeanne, O\u27Connor, Casey, Vajda, Sandor, Zerbe, Brandon   +9 more
core   +2 more sources