Results 221 to 230 of about 1,862,839 (267)

Molecular Simulations of Interacting Nanocrystals

Nano Letters, 2008
We compute the potential of mean force for two gold nanocrystals capped by alkylthiols from atomistic simulations and show how variables such as temperature, capping molecule length, and the presence of solvent affect these interactions. Our main findings are (1) the equilibrium distance in vacuum always equals approximately 1.25 times the core ...
Philipp, Schapotschnikow, René, Pool, Thijs J H, Vlugt   +2 more
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Molecular Interactions of Aging and Cancer

Clinics in Geriatric Medicine, 1997
The increased incidence of cancer as a function of age has long been interpreted to suggest that multiple genetic changes are required for tumorigenesis. Cancer cells differ from normal cells in many characteristics, including loss of differentiation, increased invasiveness, and decreased drug sensitivity. Although recent molecular advances have helped
S W, Lee, J Y, Wei
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Molecular interactions in the eye lens

Biochemical Society Transactions, 1991
Introduction The lens is a cellular structure formed from elongated fibre cells aligning into concentric layers that stack together with the organization of a uni-axial crystal 111. Within the fibre cells, where protein turnover is low, protein components are packed together [2-41 with short-range order [S].
C, Slingsby, A, Simpson, A, Ferszt, O A, Bateman, V, Nalini   +4 more
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Interaction Terms in Molecular Vibrations

Nature, 1947
We have recently been investigating the magnitudes and signs of the interaction terms in the potential functions of triatomic molecules XYZ. These arise from interactions between two bond-lengths (XY and YZ), or between one bond-length and the angle XYZ. In our study of these terms we have distinguished three distinct effects: (1) resonance effects; (2)
C A, COULSON, J, DUCHESNE, C, MANNEBACK
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A Bayesian molecular interaction library

Journal of Computer-Aided Molecular Design, 2003
We describe a library of molecular fragments designed to model and predict non-bonded interactions between atoms. We apply the Bayesian approach, whereby prior knowledge and uncertainty of the mathematical model are incorporated into the estimated model and its parameters.
Ville-Veikko Rantanen, Mats Gyllenberg, Timo Koski, Mark S. Johnson   +3 more
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Molecular Interaction of Phlorizin and Cyclodextrins

Journal of Inclusion Phenomena, 1984
The molecular interaction between phlorizin and cyclodextrin(CD) in aqueous solution is studied using the NMR spectroscopic method. From the chemical shifts of the 13-C and 1-H signals, it is concluded that a phlorizin molecule enters into the hydrophobic space of β-CD or γ-CD and makes a loose molecular complex with β-CD or γ-CD. The fact that the H-D
Yasuko Ishizuka, Yoshinobu Nagawa, Hiroshi Nakanishi   +2 more
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Molecular Modeling of Chemoreceptor:Ligand Interactions

2018
Docking algorithms have been widely used to elucidate ligand:receptor interactions that are important in biological function. Here, we introduce an in-house developed docking-refinement protocol that combines the following innovative features. (1) The use of multiple short molecular dynamics (MD) docking simulations, with residues within the binding ...
Asuka A, Orr, Arul, Jayaraman, Phanourios, Tamamis   +2 more
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MOLECULAR INTERACTIONS OF CANCER AND AGE

Hematology/Oncology Clinics of North America, 2000
The authors believe that the aging process--the loss of youthful resilience--is caused by the decline of many hormones. By restoring these hormone levels, the decay associated with old age can be eliminated and in some cases, perhaps reversed. The hormones that naturally occur in the body should be replenished through a medically sound regimen.
J A, Fernandez-Pol, M G, Douglas
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Monitoring Molecular Interactions by NMR

2008
The ability of proteins to interact with small molecules or other proteins is essential in all aspects of biology. In many cases these interactions cause detectable changes in NMR chemical shifts, lineshapes, and relaxation rates and therefore provide a means by which to study these biologically important phenomena. Here we review the theory upon which
James M, Lipchock, J Patrick, Loria
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Optical properties and molecular interactions

Pure and Applied Chemistry, 1974
ABSTRACT This paper deals mainly with the modifications of molecular spectra when the density varies as a function of pressure and temperature. It represents a brief survey of some of the work conducted at Bellevue. The main topics covered are: (i) depolarized scattering of light by rare gases, due to anisotropic field fluctuations and atomic ...
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