Results 91 to 100 of about 163,670 (314)

Organizing the interface—Plasma membrane architecture and receptor dynamics in virus‐cell interactions

FEBS Letters, EarlyView.
Plasma membranes contain dynamic nanoscale domains that organize lipids and receptors. Because viruses operate at similar scales, this architecture shapes early infection steps, including attachment, receptor engagement, and entry. Using influenza A virus and HIV‐1 as examples, we highlight how receptor nanoclusters, multivalent glycan interactions ...
Jan Schlegel, Christian Sieben
wiley   +1 more source

Modelling shocks using molecular dynamics [PDF]

, 2011
The study of shocks in solid, crystalline metals has been ongoing since the early works of Rankine and Hugoniot in the latter half of the 19th century.
Park, Nigel
core  

Predicting enantioseparations on polysaccharide-based stationary phases using achiral and chiral molecular descriptors

Journal of Chromatography Open
Achiral and chiral molecular descriptors were used to build models that predict the global retention of chiral molecules on the one hand, and their enantioselectivity, separation and elution sequence on the other.
Pieter De Gauquier, Jordy Peeters, Fardine Ameli, Emmanuelle Lipka, Kenno Vanommeslaeghe, Yvan Vander Heyden, Debby Mangelings   +6 more
doaj   +1 more source

Epigenetic blind spots – the role of DNA methylation dynamics in stem cell‐based models of embryogenesis

FEBS Letters, EarlyView.
Embryo‐like structures (stembryos) are an innovative tool, but they are hindered by experimental variability and limited developmental potential. DNA methylation is crucial for mammalian development, but its status in stembryo models is poorly characterized.
Sara Canil, Anna Corrà, Annalisa Scapolatiello, Chengxiang Qiu, Gianluca Amadei   +4 more
wiley   +1 more source

MoKa

, 2009
Accurate pKa prediction and automatic structure modification is critical for many computational chemistry methods which are strongly dependent on the tautomerization and protonation state of the structures, including docking, binding affinity estimation,
Molecular Discovery, STORCHI, LORIANO
core  

Three-dimensional structure of human ??-defensin 28 via homology modelling and molecular dynamics

, 2012
The 3D structure of the human ??-defensin 28 (HBD-28) has been investigated via homology modelling and molecular dynamics (MD) approach. With known high-resolution structures of HBD-2 and -3, single- and multiple-template sequence alignments are applied ...
Leong, Susanna Su Jan, Chen, Wen Wen, Wen Wen Chen, Tay, Derrick Kok Sing, Sang Kyu Kwak, Kwak, Sang Kyu, Derrick Kok Sing Tay, Chen, Wenwen, Susanna Su Jan Leong   +8 more
core   +1 more source

Model Selection and the Molecular Clock

PLoS Biology, 2006
A brief overview of the methods used to determine phylogenetic distances sets the stage for understanding new research published in PLoS Biology.
openaire   +4 more sources

pH‐mediated activation of the lysosomal arginine sensor SLC38A9

FEBS Letters, EarlyView.
Cells monitor nutrient levels via the lysosomal transporter SLC38A9 to activate the mechanistic target of rapamycin complex 1 (mTORC1). This study reveals that SLC38A9 function is regulated by pH. We identified histidine 544 as a critical pH sensor that undergoes conformational changes to control amino acid efflux from lysosomes; therefore, it ...
Xuelang Mu, Ampon Sae Her, Tamir Gonen
wiley   +1 more source

Molecular modelling study of the 3D structure of the biglycan core protein, using homology modelling techniques

, 2013
Herein we report the establishment of the 3D structure of the biglycan core protein, using conventional homology molecular modelling techniques. The 3D model has been structurally optimised via molecular dynamics.
Feidakis, Christos, Champeris Tsaniras, Spyridon, Kossida, Sophia, Vlachakis, Dimitrios   +3 more
core  

A Priori Molecular Descriptors In Qsar: A Case Of Hiv-1 Protease Inhibitors: Ii. Molecular Graphics And Modeling

, 2015
Molecular graphics and modeling methods illustrated the chemical background of the a priori approach from part I, and visualized steric and electronic enzyme-inhibitor relationships at qualitative and quantitative level for 34 and its derivatives.
Kiralj, Rudolf, Ferreira, Márcia M C, Kiralj R., Ferreira M.M.C.   +3 more
core   +1 more source