Results 11 to 20 of about 2,313,045 (347)
Imaging and energetics of single SSB-ssDNA molecules reveal intramolecular condensation and insight into RecOR function [PDF]
Escherichia coli single-stranded DNA (ssDNA) binding protein (SSB) is the defining bacterial member of ssDNA binding proteins essential for DNA maintenance.
Jason C Bell+2 more
doaj +5 more sources
FRET Visualization of High Mechanosensation of von Willebrand Factor to Hydrodynamic Force [PDF]
von Willebrand factor (vWF) is a large glycoprotein in the circulation system, which senses hydrodynamic force at vascular injuries and then recruits platelets in assembling clots.
Mingxing Ouyang+6 more
doaj +2 more sources
The aggregation of the intrinsically disordered protein alpha-synuclein (αS) into amyloid fibrils is thought to play a central role in the pathology of Parkinson’s disease.
Steven J. Roeters+5 more
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The SAFT-γ Mie group-contribution equation of state [ Papaioannou J. Chem. Phys. 2014 , 140 , 054107 ] is used to develop a transferable coarse-grained (CG) force-field suitable for the molecular simulation of linear alkanes.
Sadia Rahman+8 more
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The Intramolecular Force Field and Normal Vibrations of Isotactic Polypropylene and Deuterated Derivatives [PDF]
Abstract The infrared active normal vibrations of isotactic polypropylene and its deuterated derivatives in the crystalline state have been treated. The modified Urey-Bradley-Shimanouchi force field has been used for the calculations. A total of 23 potential constants have been adjusted by the method of least squares with reference to a ...
Yoshiko Ideguchi, Tatsuo Miyazawa
openaire +3 more sources
Q-model of electrode reactions: altering force constants of intramolecular vibrations
Vibrational force constants of molecules can be altered in electrode reactions. A theory is formulated accounting for such effects in terms of non-parabolic free energy surfaces.
Dmitry V. Matyushov, Marshall D. Newton
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Molecular simulation of caloric properties of fluids modelled by force fields with intramolecular contributions: Application to heat capacities [PDF]
The calculation of caloric properties such as heat capacity, Joule-Thomson coefficients and the speed of sound by classical force-field-based molecular simulation methodology has received scant attention in the literature, particularly for systems ...
William R. Smith+3 more
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Despite the well-established importance of intermolecular cation-pi interactions in molecular recognition, intramolecular cation-pi interactions have been less studied. Here we describe how the simultaneous presence of an aromatic ring at the 5'-position of an inosine derivative and a positively charged imidazolium ring in the purine base drive the ...
Casanova, Elena+7 more
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Erratum: Intramolecular-force-constant model for
Jack L. Feldman+4 more
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Developing accurate intramolecular force fields for conjugated systems through explicit coupling terms [PDF]
Javier Cerezo+2 more
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