https://www.nist.gov/publications/conformational-heterogeneity-ucaauc-rna-oligonucleotide-molecular-dynamics-simulations
We describe the conformational ensemble of the single-stranded r(UCAAUC) oligonucleotide obtained using extensive molecular dynamics (MD) simulations.
molecular dynamicsconformationalheterogeneityrnaoligonucleotide
https://www.nist.gov/publications/rotational-spectra-conformational-structures-and-dipole-moments-2-ethylthio-ethanol-jet
The rotational spectra of three low-energy conformers of 2-(ethylthio)ethanol also known as ethyl 2-hydroxyethylsulfide or hydroxyethylethyl sulfide (HOEES), to
dipole momentsrotationalspectraconformationalstructures
https://elifesciences.org/articles/57180/figures
Specific and non-specific conformational confinement, via point mutation or cochaperone interaction or macro-molecular crowding, stimulates protein function in...
protein functionfine tuningfiguresdatacontrolling
https://elifesciences.org/articles/81608/figures
Cyclic peptide natural products didemnin B and ternatin-4 bind the same hydrophobic pocket of eEF1A to inhibit mRNA translation but exhibit kinetic differences...
didemnin bfiguresdataternatin
https://pubmed.ncbi.nlm.nih.gov/26596615/
Temperature-based replica-exchange molecular dynamics (REMD), in which multiple simultaneous simulations, or replicas, are run at a range of temperatures, has...
efficientconformationalsamplingexplicitsolvent
https://www.imm.ox.ac.uk/publications/8046
Major histocompatibility complex (MHC) class I molecules bind peptides in the endoplasmic reticulum (ER). For this binding reaction, when performed in vitro,...
conformational changein thefastassociationrates
https://www.academia.edu/84482475/Conformational_Effects_on_the_Photophysics_of_Conjugated_Polymers_A_Two_Species_Model_for_MEH_PPV_Spectroscopy_and_Dynamics
We report transient and steady state photoluminescence results along with absorption and NMR data to support the existence of two distinct morphological...
on theconjugated polymerspdfconformationaleffects
https://www.ncbi.nlm.nih.gov/Structure/pdb/3JAB
GafA domain of cone phosphodiesterase 6CGafB domain of phosphodiesterase 2AIgG1-kappa 2E8 heavy chainIgG1-kappa 2E8 light chainphosphodiesterase 5/6 chimera...
the gdomainorganizationconformationalplasticity
https://bolivianchemistryjournaliiq.umsa.bo/2025/06/02/1h-and-13c-nmr-experimental/
experimental datanmr