Results 61 to 70 of about 27,388,041 (218)

Modeling Diffusive Dynamics in Adaptive Resolution Simulation of Liquid Water

, 2007
We present a dual-resolution molecular dynamics (MD) simulation of liquid water employing a recently introduced Adaptive Resolution Scheme (AdResS). The spatially adaptive molecular resolution procedure allows for changing from a coarse-grained to an all-
Clementi, Cecilia, Kremer, Kurt, Matysiak, Silvina, Praprotnik, Matej, Site, Luigi Delle   +4 more
core   +1 more source

Behaviour of microscale gas flows based on a power-law free path distribution function [PDF]

, 2011
We investigate a power-law form for the probability distribution function of free paths of dilute gas molecules in a confined region. A geometry-dependent effective molecular mean free path (MFP) model is then derived for a planar wall confinement, by ...
Dongari, Nishanth, Reese, Jason, Zhang, Yonghao   +2 more
core   +1 more source

Isomorphs in Model Molecular Liquids [PDF]

The Journal of Physical Chemistry B, 2012
20 ...
Trond S. Ingebrigtsen, Thomas B. Schrøder, Jeppe C. Dyre   +2 more
openaire   +4 more sources

Chemistry in Dense Molecular Clouds: Theory and Observational Constraints [PDF]

, 1988
For the most part, gas phase models of the chemistry of dense molecular clouds predict the abundances of simple species rather well. However, for larger molecules and even for small systems rich in carbon these models often fail spectacularly.
Blake, Geoffrey A.
core  

Dielectric Constant and Structure of Liquid 18-Crown-6 Calculated from Molecular Dynamics Simulations [PDF]

, 1997
The results are presented for molecular dynamics simulations of liquid 18-crown-6 using different potential models. The results offer the possibility of investigating the influence of the flexibility of the dihedral angles and the effects of the united ...
Briels, W.J., Leuwerink, F.T.H.
core   +3 more sources

In vitro screening and characterization of lactic acid bacteria from Lithuanian fermented food with potential probiotic properties

Frontiers in Microbiology, 2023
The present work aimed to identify probiotic candidates from Lithuanian homemade fermented food samples. A total of 23 lactic acid bacteria were isolated from different fermented food samples.
Ashwinipriyadarshini Megur, Eric Banan-Mwine Daliri, Toma Balnionytė, Jonita Stankevičiūtė, Eglė Lastauskienė, Aurelijus Burokas   +5 more
doaj   +1 more source

Molecular dissection of colorectal cancer in pre-clinical models identifies biomarkers predicting sensitivity to EGFR inhibitors

Nature Communications, 2017
Colorectal carcinoma represents a heterogeneous entity, with only a fraction of the tumours responding to available therapies, requiring a better molecular understanding of the disease in precision oncology.
M. Schütte, T. Risch, Nilofar Abdavi-Azar, K. Boehnke, Dirk Schumacher, Marlen Keil, Reha Yildiriman, Christine Jandrasits, T. Borodina, V. Amstislavskiy, Catherine L. Worth, C. Schweiger, S. Liebs, M. Lange, H. Warnatz, L. Butcher, J. Barrett, M. Sultan, C. Wierling, N. Golob-Schwarzl, S. Lax, S. Uranitsch, M. Becker, Y. Welte, Joseph L. Regan, M. Silvestrov, I. Kehler, A. Fusi, T. Kessler, R. Herwig, U. Landegren, Dirk Wienke, M. Nilsson, J. Velasco, P. Garin‐Chesa, C. Reinhard, S. Beck, R. Schäfer, C. Regenbrecht, D. Henderson, B. Lange, J. Haybaeck, U. Keilholz, J. Hoffmann, H. Lehrach, M. Yaspo   +45 more
semanticscholar   +1 more source

Tumor Cellular and Microenvironmental Cues Controlling Invadopodia Formation

Frontiers in Cell and Developmental Biology, 2020
During the metastatic progression, invading cells might achieve degradation and subsequent invasion into the extracellular matrix (ECM) and the underlying vasculature using invadopodia, F-actin-based and force-supporting protrusive membrane structures ...
Ilenia Masi, Valentina Caprara, Anna Bagnato, Laura Rosanò, Laura Rosanò   +4 more
doaj   +1 more source

Global Collapses and Expansions in Star-Forming Clouds

, 2009
Spectral molecular line profile observations of star-forming molecular clouds sometimes show distinct red asymmetric double-peaked molecular line profiles with weaker blue peaks and stronger red peaks.
Adams, Adelson, Aguti, Arons, Belloche, Bernes, Bian, Carolan, Di Francesco, Evans, Fiege, Fiege, Fuller, Gao, Hammersley, Harvey, Hennebelle, Hogerheijde, Hu, Jørgensen, Kenyon, Keto, Lada, Larson, Lee, Lou, Lou, Lou, Lou, MacLow, Mardones, Matthews, Matzner, Matzner, McKee, Moraghan, Moriarty-Schieven, Myers, Myers, Nakano, Ossenkopf, Ostriker, Park, Park, Park, Rawlings, Redman, Redman, Saito, Schöier, Shang, Shen, Shirley, Shreider, Shu, Shu, Shu, Shu, Su, Tafalla, Tafalla, Tafalla, Thompson, Tsamis, van der Tak, Van Zadelhoff, Velusamy, Wang, Ward-Thompson, Wilner, Wu, Yang Gao, Yu, Yu, Yu-Qing Lou, Zhou, Zhou, Zweibel   +77 more
core   +1 more source

Molecular Models of Nanodiscs

Journal of Chemical Theory and Computation, 2015
Nanodiscs are discoloidal protein-lipid particles that self-assemble from a mixture of lipids and membrane scaffold proteins. They form a highly soluble membrane mimetic that closely resembles a native-like lipid environment, unlike micelles. Nanodiscs are widely used for experimental studies of membrane proteins.
Iwona Siuda, D. Peter Tieleman
openaire   +3 more sources