Results 51 to 60 of about 2,403,428 (390)
Network theory approach for data evaluation in the dynamic force spectroscopy of biomolecular interactions [PDF]
, 2009 Investigations of molecular bonds between single molecules and molecular complexes by the dynamic force spectroscopy are subject to large fluctuations at nanoscale and possible other aspecific binding, which mask the experimental output.
B. Tadić +10 more
core +3 more sources
Stereodynamical Effects by Anisotropic Intermolecular Forces [PDF]
Frontiers in Chemistry, 2019 Electric and magnetic field gradients, arising from sufficiently strong anisotropic intermolecular forces, tend to induce molecular polarization which can often modify substantially the results of molecular collisions, especially at low rotational temperatures and low collision energies.
Ascenzi D. +4 more
openaire +6 more sources
Tip–sample interactions: Extraction of single molecular pair potentials from force curves [PDF]
, 1996 This article describes a method for extracting the true tip–sample potential from an experimental force curve in atomic force microscopy. This potential is not the negative integral of the force curve. Rather, the potential is a more complicated function
Baldeschwieler, John D. +2 more
core +1 more source
Toward transferable interatomic van der Waals interactions without electrons: The role of multipole electrostatics and many-body dispersion [PDF]
, 2014 We estimate polarizabilities of atoms in molecules without electron density, using a Voronoi tesselation approach instead of conventional density partitioning schemes.
Koch W. +5 more
core +2 more sources
The structure and intermolecular forces of DNA condensates [PDF]
Nucleic Acids Research, 2016 Spontaneous assembly of DNA molecules into compact structures is ubiquitous in biological systems. Experiment has shown that polycations can turn electrostatic self-repulsion of DNA into attraction, yet the physical mechanism of DNA condensation has remained elusive.
Aleksei Aksimentiev, Jejoong Yoo
openaire +3 more sources
Chiral discrimination in optical binding [PDF]
, 2015 The laser-induced intermolecular force that exists between two or more particles in the presence of an electromagnetic field is commonly termed “optical binding.” Distinct from the single-particle forces that are at play in optical trapping at the ...
D. L. Andrews +7 more
core +1 more source
Applied Physics Reviews, 2018 Molecular simulation is a powerful computational tool for a broad range of applications including the examination of materials properties and accelerating drug discovery.
J. Harrison +5 more
semanticscholar +1 more source
, 2011 Diagrammatic techniques are well-known in the calculation of dispersion interactions between atoms or molecules. The multipolar coupling scheme combined with Feynman ordered diagrams significantly reduces the number of graphs compared to elementary ...
Haakh, Harald R. +2 more
core +1 more source
A Conceptual Framework for Integrating Cellular Protein Folding, Misfolding and Aggregation
Life, 2021 How proteins properly fold and maintain solubility at the risk of misfolding and aggregation in the cellular environments still remains largely unknown.
Seong Il Choi, Baik L. Seong
doaj +1 more source
Molecular dynamics in arbitrary geometries : parallel evaluation of pair forces [PDF]
, 2007 A new algorithm for calculating intermolecular pair forces in molecular dynamics (MD) simulations on a distributed parallel computer is presented. The arbitrary interacting cells algorithm (AICA) is designed to operate on geometrical domains defined by ...
Allen M.P. +6 more
core +5 more sources