Results 111 to 120 of about 224,084 (299)

Design and analysis strategies for robust microbiome ageing research

FEBS Letters, EarlyView.
The gut microbiome changes with age and associates with age‐related morbidity and mortality, establishing it as a potential biomarker and intervention target for ageing. Realising this potential requires methodological rigour, yet distinguishing biological signals from methodological artefacts remains challenging across cohorts. This review provides an
Mark Olenik, İsmail Güderer, Yi Wang, Tayyaba Alvi, Prasoon Pandey, Handan Melike Dönertaş   +5 more
wiley   +1 more source

Leveraging legacy codes to distributed problem solving environments: A web service approach [PDF]

, 2003
This paper describes techniques used to leverage high performance legacy codes as CORBA components to a distributed problem solving environment. It first briefly introduces the software architecture adopted by the environment.
Li, M, Williams, P, Walker, D, Rana, O, Huang, Y, Ward, R   +5 more
core  

Learning the therapeutic targets of acute myeloid leukemia through multiscale human interactome network and community analysis

BioData Mining
Acute myeloid leukemia (AML) is caused by proliferation of mutated myeloid progenitor cells. The standard chemotherapy regimen does not efficiently cause remission as there is a high relapse rate.
Suruthy Sivanathan, Ting Hu
doaj   +1 more source

Toward Molecular Catalysts by Computer

Accounts of Chemical Research, 2015
CONSPECTUS: Rational design of molecular catalysts requires a systematic approach to designing ligands with specific functionality and precisely tailored electronic and steric properties. It then becomes possible to devise computer protocols to design catalysts by computer.
Simone, Raugei, Daniel L, DuBois, Roger, Rousseau, Shentan, Chen, Ming-Hsun, Ho, R Morris, Bullock, Michel, Dupuis   +6 more
openaire   +3 more sources

Mixed‐class J‐domain protein scaffolds promote expanded aggregate handling and multivalent Hsp70 engagement during functional disaggregase assembly

FEBS Letters, EarlyView.
Protein aggregates threaten proteostasis and cell health. In human cells, Hsp70–J‐domain protein‐based disaggregases remove aggregates, but how they assemble remains unclear. Our biochemical findings show that DNAJA2‐ and DNAJB1‐containing disaggregase scaffolds enhance luciferase aggregate targeting, and that Hsp70 recruitment by both J‐domain ...
Anna Szlachcic, Nadinath B. Nillegoda
wiley   +1 more source

Theoretical Aspects of Molecular Recognition [PDF]

, 2009
Molecular recognition is a key process in non-covalent interactions, which determines, among others, host-guest complexation, drug action and protein-protein interaction. A simple and attractive formulation is the lock-and-key analogy defining the host
Gábor Náray-Szabó, Náray-Szabó, Gábor, Veronika Harmat, Harmat, Veronika   +3 more
core   +1 more source

Detailed analysis of single molecular junctions for novel computing architectures [PDF]

, 2017
Molecular electronics, as a concept to embed molecular compounds into electrical circuits, can be traced back to 1950s. Since that time, a lot of investigations were done, including design and development of molecular-based analogs of electronic ...
Vladyka, Anton
core   +1 more source

Reconstructing enzyme evolution by protein engineering

FEBS Letters, EarlyView.
Natural enzyme evolution can be retraced by protein engineering methods such as directed evolution, rational design, and ancestral sequence reconstruction. These approaches reveal how enzymes emerged from ligand‐binding scaffolds, developed varying substrate preferences, formed oligomeric complexes, adapted to environmental changes, and evolved novel ...
Lukas Drexler, Markus R. Busch, Reinhard Sterner   +2 more
wiley   +1 more source

Nanoinformatics: developing new computing applications for nanomedicine [PDF]

, 2012
Nanoinformatics has recently emerged to address the need of computing applications at the nano level. In this regard, the authors have participated in various initiatives to identify its concepts, foundations and challenges.
Maojo, V., Hussein, R., Milanesi, L., Koch, Sabine, Graf, N, Antoine Geissbuhler, Diana De la Iglesia, Crespo, J, Fritts, Martin, Fernando Martin-Sanchez, Miguel Garcia-Remesal, Guillermo De la Calle, Pazos, A., Grangeat, P., Josipa Kern, Moustakis, Vassilis, Pazos, A, Potamias, G, Jose Crespo, Norbert, Graf, David Perez-Rey, Kern, Josipa, Kern, J, Anguita, A, Sanz, F, Perez-Rey, D, Victoria Lopez-Alonso, Fritts, M, Norbert Graf, Baker, Nathan, Hermosilla, I ., Facelli, J C, Moustakis, V, Geissbuhler, A., Crespo, Jose, De la Iglesia, D., Potamias, George, De la Calle, Guillermo, Gonzalez-Nilo, Fernando, Casimir Kulikowski, Cachau, R.E., Koch, S, Iglesia Jimenez, Diana de la, Fritts, M., De la Iglesia, D, Otero, P, Hermosilla, Isabel, Mitchell, Joyce A., Facelli, Julio C., Perez Rey, David, Yannick Legre, Anguita, A., Martín-Sánchez, Fernando, Otero, Paula, Pierre Grangeat, Sanz, F., Sabine Koch, Ghazal, Peter, Moustakis, V., Anguita, Alberto, García Remesal, Miguel, Calle, Guillermo de la, Cachau, R E, Martin-Sanchez, F, Martín Sánchez, Fernando, Vassilis Moustakis, Peter Ghazal, Legre, Y., Milanesi, L, Baker, N, Kulikowski, C, Garcia-Remesal, Miguel, Cachau, Raul E., Rada Hussein, Crespo, J., Hussein, Rada, Koch, S., Lopez-Campos, G., Benitez, S.E., Ferran Sanz, Kulikowski, C., Martin Fritts, Barreiro, J M, Benitez, S E, De la Calle, G., Benitez, Sonia E., Jose Maria Barreiro, Guillermo Lopez-Campos, Paula Otero, Garcia-Remesal, M, Pazos Sierra, Alejandro, Maojo Garcia, Victor Manuel, Maojo, Victor, Ghazal, P., Graf, N., Fernando Gonzalez-Nilo, Grangeat, Pierre, Kern, J., Hussein, R, Hermosilla, I, Otero, P., Legre, Yannick, Barreiro, J.M., Legre, Y, Martin-Sanchez, F., González-Nilo, F., Sonia E. Benitez, Pazos, Alejandro, Raul E. Cachau, Baker, N., Maojo, V, Lopez-Campos, G, Maria Barreiro, Jose, Perez-Rey, David, Cristian Munteanu, Geissbuhler, Antoine, Milanesi, Luciano, Lopez-Alonso, V., Julio C. Facelli, Victor Maojo, Mitchell, J A, Munteanu, C, González-Nilo, Fernando D., Graf, Norbert, Garcia-Remesal, M., Gonzalez-Nilo, F, Anguita Sanchez, Alberto, Iglesia, Diana de la, Luciano Milanesi, Joyce A. Mitchell, De la Calle, G, De la Iglesia, Diana, Mitchell, J.A., Kulikowski, Casimir, Barreiro, José María, Munteanu, C., George Potamias, Sanz, Ferran, Perez-Rey, D., Nathan Baker, Grangeat, P, Munteanu, Cristian-Robert, Alejandro Pazos, Barreiro Sorrivas, Jose Maria, Potamias, G., Crespo del Arco, Jose, Munteanu, Cristian, Alberto Anguita, Lopez-Alonso, Victoria, Facelli, J.C., Isabel Hermosilla, Lopez-Alonso, V, Ghazal, P, Lopez-Campos, Guillermo   +153 more
core   +2 more sources

Identification of a Shiga toxin A‐derived peptide internalized into Gb3 receptor‐bearing cells via interaction with the Shiga toxin B subunit

FEBS Letters, EarlyView.
The process of internalization of the Shiga toxin A subunit via formation of a complex with the Shiga toxin B subunit, which specifically binds to the Gb3 receptor. The peptide is designed to act as a carrier of drugs into cancer cells. Here, we explored the potential of peptides derived from the catalytic A subunit of Shiga toxin (STxA) to be drug ...
Giulia Opassi, João C. Encarnação, Valeria Napolitano, Grzegorz Dubin, Grzegorz Popowicz, Karl Andersson, U. Helena Danielson   +6 more
wiley   +1 more source