Results 81 to 90 of about 7,568,994 (301)

Molecular Dynamics Simulations and Empirical Observations on Soy Lecithin Liposome Preparation

Indonesian Journal of Chemistry, 2016
Soy lecithin is a phospholipid often used in liposome formulations. Determination of water and phospholipid composition is one of the problems in the liposome formulation.
Rini Dwiastuti, Muhammad Radifar, Marchaban Marchaban, Sri Noegrohati, Enade Perdana Istyastono   +4 more
doaj   +1 more source

Tribochemistry: A Review of Reactive Molecular Dynamics Simulations

Lubricants, 2020
Tribochemistry, the study of chemical reactions in tribological interfaces, plays a critical role in determining friction and wear behavior. One method researchers have used to explore tribochemistry is “reactive” molecular dynamics simulation based on ...
Ashlie Martini, Stefan J. Eder, Nicole Dörr   +2 more
doaj   +1 more source

Support for Multiscale Simulations with Molecular Dynamics

Procedia Computer Science, 2013
AbstractWe present a reusable solution that supports users in combining single-scale models to create a multiscale application. Our approach applies several multiscale programming tools to allow users to compose multiscale applications using a graphical interface, and provides an easy way to execute these multiscale applications on international ...
Katarzyna Rycerz, Eryk Ciepiela, Grzegorz Dyk, Derek Groen, Tomasz Gubala, Daniel Harezlak, Maciej Pawlik, James J. Suter, Stefan J. Zasada, Peter V. Coveney, Marian Bubak   +10 more
openaire   +2 more sources

Molecular characterization of covRS mutations in M1UK Streptococcus pyogenes

FEBS Open Bio, EarlyView.
Group A Streptococcus (GAS) acquires covRS mutations driving a hypervirulent bacterial state, frequently associated with invasive disease‐like necrotizing fasciitis. We demonstrate that the newly emerged M1UK GAS lineage can also acquire these mutations.
Jarrad Pritchard, Emma‐Jayne Proctor, Jiawa Wang, Nikolas P. Johnston, Andrew Hayes, Georgia McCorkell, Haibo Yu, Jai Tree, Mark R. Davies, Mark J. Walker, Ronald Sluyter, Stephan Brouwer, Martina L. Sanderson‐Smith   +12 more
wiley   +1 more source

Transcripts enriched in codons that trigger P‐site tRNA‐mediated mRNA decay possess stable mRNA

FEBS Open Bio, EarlyView.
PTMD codons were first described by Mendel et al. as mediators of an mRNA decay pathway dependent on the human protein CNOT3, homologous to yeast Not5. Our findings confirm that PTMD codons destabilize transcripts; however, unlike in yeast, the human pathway specifically targets and slightly destabilizes primarily stable mRNAs.
Rodolfo Lopes Carneiro, Fernando Lucas Palhano   +1 more
wiley   +1 more source

Pathways and pitfalls: a qualitative study of student experiences in biomedical science education

FEBS Open Bio, EarlyView.
Biomedical science students from underrepresented backgrounds face barriers including financial strain, disrupted laboratory access and cultural exclusion. Peer networks provide vital support when institutional systems are difficult to navigate. To create inclusive learning environments and achieve academic success, educators should blend active, hands‐
Olivia J. Russell, Cassy Ross, Panagiota S. Filippou, Bruno Silvester Lopes, Dominic Gilchrist, Paul Dean, Kamar Ameen‐Ali, Tora K. Smulders‐Srinivasan, Ahmad A. Khundakar   +8 more
wiley   +1 more source

Mechanism of Ostwald Ripening in 2D Physisorbed Assemblies at Molecular Time and Length Scale by Molecular Dynamics Simulations [PDF]

, 2018
Ostwald ripening can improve the long-range order of self-assembled monolayers by the growth of large domains and disassembly of smaller ones. Here, coarse-grained molecular dynamics simulations are used to study the dynamics of the stable assembly and ...
De Vries, Alex H., van Esch, J.H., Steven De Feyter (1302555), Jan H. van Esch (1235280), Piskorz, T.K. (author), Piskorz, Tomasz K., Alex H. de Vries (226821), De Vries, Alex H. (author), van Esch, J.H. (author), Piskorz, T.K., van Esch, Jan H., de Vries, Alex H.; id_orcid, Tomasz K. Piskorz (1318296), De Feyter, Steven (author), De Feyter, Steven   +14 more
core   +3 more sources

A new flow chip in combination with multiphoton microscopy as a protocol for longitudinal 3D imaging of tissue calcification under shear stress

FEBS Open Bio, EarlyView.
Miniaturized flow chip platform enabling continuous perfusion and longitudinal multiphoton 3D imaging of vascular smooth muscle cell constructs under physiological flow. Brightfield imaging guides region selection, while CellTracker Green and mRuby‐labeled fetuin‐A visualize cells and mineral deposition, respectively. Magnesium supplementation markedly
Vytautas Kučikas, Aaron D. Morgan, Ignas Čiurlionis, Christian Böhm, Stefan Jockenhövel, Willi Jahnen‐Dechent, Marc A. M. J. van Zandvoort   +6 more
wiley   +1 more source

The Activation and Selectivity of the Legionella RavD Deubiquitinase

Frontiers in Molecular Biosciences, 2021
Eric Schulze-Niemand, Eric Schulze-Niemand, Michael Naumann, Matthias Stein   +3 more
doaj   +1 more source

StreaMD: the toolkit for high-throughput molecular dynamics simulations

Journal of Cheminformatics
Molecular dynamics simulations serve as a prevalent approach for investigating the dynamic behaviour of proteins and protein–ligand complexes. Due to its versatility and speed, GROMACS stands out as a commonly utilized software platform for executing ...
Aleksandra Ivanova, Olena Mokshyna, Pavel Polishchuk   +2 more
doaj   +1 more source