Structural characterization of biomaterials by means of small angle X-rays and neutron scattering (SAXS and SANS), and light scattering experiments

D Lombardo, P Calandra, MA Kiselev - Molecules, 2020 - mdpi.com
Scattering techniques represent non-invasive experimental approaches and powerful tools
for the investigation of structure and conformation of biomaterial systems in a wide range of …

[HTML][HTML] Using synchrotrons and XFELs for time-resolved X-ray crystallography and solution scattering experiments on biomolecules

M Levantino, BA Yorke, DCF Monteiro… - Current opinion in …, 2015 - Elsevier
Highlights•Time-resolved structural information is key to understanding biological
mechanism.•The molecular details of biomolecular catalysis and regulation can be studied …

Dynamic particle swarm optimization of biomolecular simulation parameters with flexible objective functions

M Weiel, M Götz, A Klein, D Coquelin, R Floca… - Nature machine …, 2021 - nature.com
Molecular simulations are a powerful tool to complement and interpret ambiguous
experimental data on biomolecules to obtain structural models. Such data-assisted …

Interpreting solution X-ray scattering data using molecular simulations

JS Hub - Current opinion in structural biology, 2018 - Elsevier
Small-angle and wide-angle X-ray scattering in solution (SAXS, WAXS, SWAXS) is an
increasingly accurate method for obtaining information on biomolecular structures …

The role of SAXS and molecular simulations in 3D structure elucidation of a DNA aptamer against lung cancer

D Morozov, V Mironov, RV Moryachkov… - … Therapy-Nucleic Acids, 2021 - cell.com
Aptamers are short, single-stranded DNA or RNA oligonucleotide molecules that function as
synthetic analogs of antibodies and bind to a target molecule with high specificity. Aptamer …

Tracking the structural dynamics of proteins with time-resolved X-ray solution scattering

K Pounot, G Schirò, M Levantino - Current Opinion in Structural Biology, 2023 - Elsevier
Relevant events during protein function such as ligand binding/release and interaction with
substrates or with light are often accompanied by out-of-equilibrium structural dynamics …

Bayesian refinement of protein structures and ensembles against SAXS data using molecular dynamics

R Shevchuk, JS Hub - PLoS computational biology, 2017 - journals.plos.org
Small-angle X-ray scattering is an increasingly popular technique used to detect protein
structures and ensembles in solution. However, the refinement of structures and ensembles …

Integrative structural biology of protein-RNA complexes

L Dimitrova-Paternoga, PKA Jagtap, PC Chen… - Structure, 2020 - cell.com
Ribonucleoprotein complexes (RNPs) are central to all processes in the cell. One of the
prerequisites to understand how RNPs work is to determine their high-resolution structures …

Determination of protein structural ensembles by hybrid-resolution SAXS restrained molecular dynamics

C Paissoni, A Jussupow… - Journal of Chemical Theory …, 2020 - ACS Publications
Small-angle X-ray scattering (SAXS) experiments provide low-resolution but valuable
information about the dynamics of biomolecular systems, which could be ideally integrated …

Combined small-angle X-ray and neutron scattering restraints in molecular dynamics simulations

P Chen, R Shevchuk, FM Strnad, C Lorenz… - Journal of chemical …, 2019 - ACS Publications
Small-angle X-ray and small-angle neutron scattering (SAXS/SANS) provide unique
structural information on biomolecules and their complexes in solution. SANS may provide …