Results 71 to 80 of about 621,380 (345)
Molecular dynamics simulations of weak detonations [PDF]
Physical Review E, 2011 38 pages, 20 figures.
Am-Shallem, Morag +3 more
openaire +6 more sources
Advanced Biology, EarlyView.In vitro cancer models are advantageous for studying important processes such as tumorigenesis, cancer growth, invasion, and metastasis. The complexity and biological relevance increase depending on the model structure, organization, and composition of materials and cells.
Kyndra S. Higgins +2 more
wiley +1 more source
Molecular dynamics simulations and drug discovery [PDF]
BMC Biology, 2011 This review discusses the many roles atomistic computer simulations of macromolecular (for example, protein) receptors and their associated small-molecule ligands can play in drug discovery, including the identification of cryptic or allosteric binding sites, the enhancement of traditional virtual-screening methodologies, and the direct prediction of ...
Durrant, Jacob D, McCammon, J Andrew
openaire +6 more sources
Advanced Biology, EarlyView.Infrared (IR) light evokes distinct calcium and water transport responses in astrocytes, depending on stimulation duration and protocol. This study uses widefield imaging and pharmacology to reveal differential engagement of astroglial signaling pathways.
Wilson R. Adams +7 more
wiley +1 more source
Multi-scale time-stepping in molecular dynamics
, 2017 We introduce a modified molecular dynamics algorithm that allows one to freeze the dynamics of parts of a physical system, and thus concentrate the simulation effort on selected, central degrees of freedom. This freezing, in contrast to other multi-scale
Maggs, A. C.
core +2 more sources
Advanced Engineering Materials, EarlyView.Hydrostatic bearings excel in high‐precision applications, but their performance hinges on a continuous external supply. This study evaluates various material combinations for sliding surfaces to mitigate damage during supply failures or misalignment and to discover the most effective materials identified for enhancing the reliability and efficiency of
Michal Michalec +6 more
wiley +1 more source
Atomic dynamics of alumina melt: A molecular dynamics simulation study
Condensed Matter Physics, 2008 The atomic dynamics of Al2O3 melt are studied by molecular dynamics simulation. The particle interactions are described by an advanced ionic interaction model that includes polarization effects and ionic shape deformations.
S.Jahn, P.A.Madden
doaj +1 more source
Molecular Dynamics Simulation of Heat-Conducting Near-Critical Fluids
, 2004 Using molecular dynamics simulations, we study supercritical fluids near the gas-liquid critical point under heat flow in two dimensions. We calculate the steady-state temperature and density profiles. The resultant thermal conductivity exhibits critical
A. Onuki +9 more
core +1 more source
Molecular dynamics simulations of membrane proteins [PDF]
Biophysical Reviews, 2012 Membrane proteins control the traffic across cell membranes and thereby play an essential role in cell function from transport of various solutes to immune response via molecular recognition. Because it is very difficult to determine the structures of membrane proteins experimentally, computational methods have been increasingly used to study their ...
Baştuğ, Turgut, Kuyucak, Serdar
openaire +5 more sources