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15.218  Articles
1 of 1.523 pages  |  10  records  |  more records»
D’Arcy Thompson in On Growth and Form tells us that the early founders of the cell theory of biology, and the physiologists believed that progress in their sciences depended critically on our knowledge of molecular forces. The hubris of a new science that... see more

The present study provides molecular insight into the mechanisms underlying energy dissipation and lubrication of a smooth contact lubricated by an ionic liquid. We have performed normal and lateral force measurements with a surface forces apparatus and b... see more

The abnormal self-assembly of the amyloid-β peptide into toxic β-rich aggregates can cause Alzheimer’s disease. Recently, it has been shown that small gold nanoparticles (AuNPs) inhibit Aβ aggregation and fibrillation by slowing down ... see more

We describe some general results that constrain the dynamical fluctuations that can occur in non-equilibrium steady states, with a focus on molecular dynamics. That is, we consider Hamiltonian systems, coupled to external heat baths, and driven out of equ... see more

Classical equilibrium molecular dynamics (MD) simulations have been performed to investigate the computational performance of the Simple Point Charge (SPC) and TIP4P water models applied to simulation of methane hydrates, and also of liquid water, on a va... see more

Background: Peptidoglycan (PGN) recognition proteins (PGRPs) are important pattern recognition receptors of the host innate immune system that are involved in the immune defense against bacterial pathogens. PGRPs have been characterized in several fish sp... see more

The paper presents the analysis of dispersion forces effect on local properties in thin free films. Using a Coupled Fluctuated Dipole Method with developed methods for numerical calculations of dielectric properties, the films with different lateral sizes... see more

The structure and spectral properties for molecular complexes, which formed by added monomer form of pentaplast as well as N-phenylbenzamide with some species of intermolecular interaction in system «penton-terlon» have been investigated at ab initio leve... see more

The structural and energetic parameters for molecular complexes of phenylbenzoate with N-phenylbenzamide are reflected in some features of intermolecular interaction in system «polyarylate-terlon» at DFT-B3LYP/6-311++G(d,p) level of theory. In this case t... see more

1 of 1.523 pages  |  10  records  |  more records»