Results 71 to 80 of about 92,868 (198)
Gi- and Gs-coupled GPCRs show different modes of G-protein binding. [PDF]
, 2018 More than two decades ago, the activation mechanism for the membrane-bound photoreceptor and prototypical G protein-coupled receptor (GPCR) rhodopsin was uncovered.
Altenbach, Christian +7 more
core +1 more source
Polarization effects in the channel of an organic field-effect transistor
, 2005 We present the results of our calculation of the effects of dynamical coupling of a charge-carrier to the electronic polarization and the field-induced lattice displacements at the gate-interface of an organic field-effect transistor (OFET). We find that
Bussac, M. N. +3 more
core +1 more source
Structural Dynamics, 2017 Several strategies for simulating the ultrafast dynamics of molecules induced by interactions with electromagnetic fields are presented. After a brief overview of the theory of molecule-field interaction, we present several representative examples of ...
Sergey V. Antipov +6 more
doaj +1 more source
International Journal of Polymer Science, 2020 One silsesquioxane-polythiophene hybrid copolymer, with combined star-like structure and intramolecular heterogeneity, was synthesized and sufficiently characterized via various methods, including FTIR, NMR, and SEC measurements.
Shuxi Gao +6 more
doaj +1 more source
Thermal rectifier from deformed carbon nanohorns
, 2008 We study thermal rectification in single-walled carbon nanohorns (SWNHs) by using non-equilibrium molecular dynamics (MD) method. It is found that the horns with the bigger top angles show larger asymmetric heat transport due to the larger structural ...
Baowen Li +4 more
core +1 more source
Conformational Preferences of 3-(Dimethylazinoyl)propanoic Acid as a Function of pH and Solvent; Intermolecular versus Intramolecular Hydrogen Bonding [PDF]
, 2009 The conformational equilibrium of 3-(dimethylazinoyl)propanoic acid (DMAPA, azinoyl = N^+(O^−) has a weak pH-dependence in D_2O, with a slight preference for trans in alkaline solutions.
Alley, Olivia J. +5 more
core +2 more sources
Implementation of non-uniform FFT based Ewald summation in Dissipative Particle Dynamic method
, 2013 The ENUF method, i.e., Ewald summation based on the Non-Uniform FFT technique (NFFT), is implemented in Dissipative Particle Dynamics (DPD) simulation scheme to fast and accurately calculate the electrostatic interactions at mesoscopic level. In a simple
Laaksonen, Aatto +2 more
core +1 more source
, 2016 The dynamics of ultrafast energy transfer to water clusters and to bulk water by a highly intense, sub-cycle THz pulse of duration $\approx$~150~fs is investigated in the context of force-field molecular dynamics simulations.
Mishra, Pankaj Kr. +2 more
core +1 more source
Theoretical and experimental investigations on the structure and vibrational spectra of 6-amino-3-methyl-1-phenyl-1H-pyrazolo-[3,4-b]pyridine-5-carboxylic acid and 6,7-dihydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile [PDF]
Journal of the Serbian Chemical Society, 2009 The solid phase FT-IR and FT-Raman spectra of 6-amino-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid (PYRPCA) and 6,7-dihydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile (PYRPCN) were recorded in the region 4000–400 ...
KHALED BAHGAT +2 more
doaj
Entropy, 2013 Molecular modeling is an important subdomain in the field of computational modeling, regarding both scientific and industrial applications. This is because computer simulations on a molecular level are a virtuous instrument to study the impact of ...
Dirk Reith, Marco Hülsmann
doaj +1 more source