Results 131 to 140 of about 6,540,405 (386)

Effective Sampling in the Configurational Space by the Multicanonical-Multioverlap Algorithm

, 2006
We propose a new generalized-ensemble algorithm, which we refer to as the multicanonical-multioverlap algorithm. By utilizing a non-Boltzmann weight factor, this method realizes a random walk in the multi-dimensional, energy-overlap space and explores ...
B. A. Berg, M. H. Quenouille, R. G. Miller, Satoru G. Itoh, Y. Sugita, Yuko Okamoto   +5 more
core   +1 more source

Reciprocal control of viral infection and phosphoinositide dynamics

FEBS Letters, EarlyView.
Phosphoinositides, although scarce, regulate key cellular processes, including membrane dynamics and signaling. Viruses exploit these lipids to support their entry, replication, assembly, and egress. The central role of phosphoinositides in infection highlights phosphoinositide metabolism as a promising antiviral target.
Marie Déborah Bancilhon, Bruno Mesmin
wiley   +1 more source

Highly conserved ion binding sites are not all functionally relevant in mouse KCC4

Frontiers in Molecular Biosciences
IntroductionThe potassium chloride cotransporter 4 (KCC4) is expressed in various tissues and plays an important role in distal renal acidification and hearing development.
Lisa Becker, Jens Hausmann, Rieke Wellpott, Anna-Maria Hartmann, Anna-Maria Hartmann   +4 more
doaj   +1 more source

Sampling the conformation of protein surface residues for flexible protein docking

BMC Bioinformatics, 2010
Background The problem of determining the physical conformation of a protein dimer, given the structures of the two interacting proteins in their unbound state, is a difficult one.
Amenta Nina, Hass Joel, Gu Shengyin, Francis-Lyon Patricia, Koehl Patrice   +4 more
doaj   +1 more source

A large‐scale retrospective study in metastatic breast cancer patients using circulating tumour DNA and machine learning to predict treatment outcome and progression‐free survival

Molecular Oncology, EarlyView.
There is an unmet need in metastatic breast cancer patients to monitor therapy response in real time. In this study, we show how a noninvasive and affordable strategy based on sequencing of plasma samples with longitudinal tracking of tumour fraction paired with a statistical model provides valuable information on treatment response in advance of the ...
Emma J. Beddowes, Mario Ortega Duran, Solon Karapanagiotis, Alistair Martin, Meiling Gao, Riccardo Masina, Ramona Woitek, James Tanner, Fleur Tippin, Justine Kane, Jonathan Lay, Anja Brouwer, Stephen‐John Sammut, Suet‐Feung Chin, Davina Gale, Dana W. Y. Tsui, Sarah‐Jane Dawson, Nitzan Rosenfeld, Maurizio Callari, Oscar M. Rueda, Carlos Caldas   +20 more
wiley   +1 more source

Investigation of conformational changes of cathepsin B as a feasibility assessment for NaCl reduction in Jinhua ham

Food Science and Human Wellness
To regulate the sodium chloride content in Jinhua ham, the impact of NaCl on the activity and conformation of cathepsin B was investigated using spectroscopy and computational methods. The results showed that the activity of cathepsin B decreased with an
Shiqi Hu, Guanghong Zhou, Xinglian Xu, Wangang Zhang, Chunbao Li   +4 more
doaj   +1 more source

Multi‐omic characterization of consensus molecular subtype 1 (CMS1) colorectal cancer with dampened immune response improves precision medicine

Molecular Oncology, EarlyView.
This study highlights the importance of multi‐omic analyses in characterizing colorectal cancers. Indeed, our analysis revealed a rare CMS1 exhibiting dampened immune activation, including reduced PD‐1 expression, moderate CD8+ T‐cell infiltration, and suppressed JAK/STAT pathway.
Livia Concetti, Manuel Scimeca, Julia Bischof, Jonathan Woodsmith, Massimiliano Agostini, Cristina Fiorani, Yufang Shi, Eleonora Candi, Gerry Melino, Alessandro Mauriello, Giuseppe S. Sica   +10 more
wiley   +1 more source

Fractal Hybrid Orbitals Analysis of the Tertiary Structure of Protein Molecules

Molecules, 2002
The structure and shape of the polypeptide chains of proteins are determined by the hybridized states of the atomic orbitals in the molecular chain.
Francisco Torrens
doaj   +1 more source

Tonic signaling of the B‐cell antigen‐specific receptor is a common functional hallmark in chronic lymphocytic leukemia cell phosphoproteomes at early disease stages

Molecular Oncology, EarlyView.
B‐cell chronic lymphocytic leukemia (B‐CLL) and monoclonal B‐cell lymphocytosis (MBL) show altered proteomes and phosphoproteomes, analyzed using mass spectrometry, protein microarrays, and western blotting. Identifying 2970 proteins and 316 phosphoproteins, including 55 novel phosphopeptides, we reveal BCR and NF‐kβ/STAT3 signaling in disease ...
Paula Díez, Pablo Juanes‐Velasco, Marina L. García‐Vaquero, Conrad Droste, Alicia Landeira‐Viñuela, Miguel Alcoceba, Helena Fidalgo‐Gómez, Sara Misiego‐Herrero, Almudena Navarro‐Bailón, Mónica Baile, José M. Bastida, Jose Manuel Sanchez‐Santos, Rafael Góngora, Julia Almeida, Marcos Gonzalez‐Diaz, Alberto Orfao, Javier De Las Rivas, Manuel Fuentes   +17 more
wiley   +1 more source

Promiscuity in Polyphenol–Protein Interactions—Monitoring Protein Conformational Change upon Polyphenol–Protein Binding by Nano-Differential Fluorimetry (Nano-DSF)

Molecules
In this article, we introduce nano-differential fluorimetry (nano-DSF) as an analytical technique that is suitable for investigating polyphenol–protein interactions in solution.
Dorothea Schmidt, Amelie Wohlers, Nikolai Kuhnert   +2 more
doaj   +1 more source