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Polymer induced condensation of DNA supercoils
(American Institute of Physics (AIP), 2008-11-14)
Macromolecular crowding is thought to be a significant factor driving DNA condensation in prokaryotic cells. Whereas DNA in prokaryotes is supercoiled, studies on crowding-induced DNA condensation have so far focused on ...
PACKMOL: A Package for Building Initial Configurations for Molecular Dynamics Simulations
(JOHN WILEY & SONS INC, 2009)
Adequate initial configurations for molecular dynamics simulations consist of arrangements of molecules distributed in space in such a way to approximately represent the system`s overall structure. In order that the ...
Chirality and numbering of substituted tropane alkaloids
(2011)
The strict application of IUPAC rules for the numbering of tropane alkaloids is not always applied by authors and there is hence a lot of confusion in the literature. In most cases, the notation of 3, 6/7-disubstituted ...
Configuration interaction wave functions: A seniority number approach
(American Institute of Physics, 2014-06)
This work deals with the configuration interaction method when an N-electron Hamiltonian is projected on Slater determinants which are classified according to their seniority number values. We study the spin features of ...
Organic molecule assembled between carbon nanotubes: A highly efficient switch device
(AMER PHYSICAL SOC, 2009)
We report a highly efficient switch built from an organic molecule assembled between single-wall carbon nanotube electrodes. We theoretically show that changes in the distance between the electrodes alter the molecular ...
Electron collisions with alpha-D-glucose and beta-D-glucose monomers
(Amer Inst PhysicsMelvilleEUA, 2010)
Packing optimization for automated generation of complex system's initial configurations for molecular dynamics and docking
(John Wiley & Sons IncHobokenEUA, 2003)
DETERMINATION ON THE ABSOLUTE CONFIGURATION OF XYLOPIACIN BY MOSHR ESTER METHODOLOGY AND MOLECULAR MODELING STUDIES
(Sociedad Chilena de Química, 2000)
V-shape" molecular configuration of wax esters of jojoba oil in a Langmuir film model
(American Chemical Society, 2018-05-31)
The aim of the present work was to understand the interfacial properties of a complex mixture of wax esters (WEs) obtained from Jojoba oil (JO). Previously, on the basis of molecular area measurements, a hairpin structure ...