Results 61 to 70 of about 8,716,920 (283)
FEBS Open Bio, EarlyView.Unique biological samples, such as site‐specific mutant proteins, are available only in limited quantities. Here, we present a polarization‐resolved transient infrared spectroscopy setup with referencing to improve signal‐to‐noise tailored towards tracing small signals. We provide an overview of characterizing the excitation conditions for polarization‐
Clark Zahn, Karsten Heyne
wiley +1 more source
FEBS Open Bio, EarlyView.Time‐resolved X‐ray solution scattering captures how proteins change shape in real time under near‐native conditions. This article presents a practical workflow for light‐triggered TR‐XSS experiments, from data collection to structural refinement. Using a calcium‐transporting membrane protein as an example, the approach can be broadly applied to study ...
Fatemeh Sabzian‐Molaei +3 more
wiley +1 more source
Molecular Dynamics Simulation of Biomolecular Systems
CHIMIA, 2001 The group for computer-aided chemistry at the ETH Zürich focuses its research on the development of methodology to simulate the behavior of biomolecular systems and the use of simulation techniques to analyze and understand biomolecular ...
Wilfred van Gunsteren +14 more
doaj
Atomic dynamics of alumina melt: A molecular dynamics simulation study
Condensed Matter Physics, 2008 The atomic dynamics of Al2O3 melt are studied by molecular dynamics simulation. The particle interactions are described by an advanced ionic interaction model that includes polarization effects and ionic shape deformations.
S.Jahn, P.A.Madden
doaj +1 more source
Molecular dynamics simulation of heterogeneous nucleation on nanotubes† [PDF]
RSC Advances, 2015 Vapour-to-liquid nucleation of argon on silicon nanotubes is studied by means of classical molecular dynamics. The aim of this simulation study is primarily to address the question of whether condensation is faster on the inner surface or on the outer ...
Donguk Suh +2 more
doaj +1 more source
FEBS Open Bio, EarlyView.This protocol paper outlines methods to establish the success of a time‐resolved serial crystallographic experiment, by means of statistical analysis of timepoint data in reciprocal space and models in real space. We show how to amplify the signal from excited states to visualise structural changes in successful experiments.
Jake Hill +4 more
wiley +1 more source
Molecular dynamics simulation study of the binding of purine bases to the aptamer domain of the guanine sensing riboswitch [PDF]
, 2009 Riboswitches are a novel class of genetic control elements that function through the direct interaction of small metabolite molecules with structured RNA elements.
Stock, Gerhard +4 more
core +1 more source
FEBS Open Bio, EarlyView.The dFoCC pipeline starts with observed DED and resting‐state coordinates, which are then used to generate a library of triggered states. Correlation analysis of the calculated DED features of each candidate vs observed DED permits quantitative evaluation of candidate structural quality.
Meng Iao Fong +3 more
wiley +1 more source
Support for Multiscale Simulations with Molecular Dynamics
Procedia Computer Science, 2013 AbstractWe present a reusable solution that supports users in combining single-scale models to create a multiscale application. Our approach applies several multiscale programming tools to allow users to compose multiscale applications using a graphical interface, and provides an easy way to execute these multiscale applications on international ...
Katarzyna Rycerz +10 more
openaire +2 more sources