Results 41 to 50 of about 3,491 (198)
Implementation of telescoping boxes in adaptive steered molecular dynamics (ASMD)
, 2022 Long-time dynamical processes, such as those involving protein unfolding and ligand interactions, can be accelerated and realized through steered molecular dynamics. The challenge has been the extraction of information from such simulations that generalize for complex nonequilibrium processes.
Yi Zhuang +3 more
openaire +1 more source
Direct CP violation in $D^+ \to K^0(\bar K^0) \pi^+$ decays as a probe for new physics
, 2019 In this paper we investigate CP violation in charged decays of $D$ meson. Particularly, we study the direct CP asymmetry of the Cabibbo favored non-leptonic $D^+ \rightarrow \bar K^0 \pi^+$ and the doubly Cabibbo-suppressed decay mode $D^+ \rightarrow K ...
Delepine, David +2 more
core +1 more source
Coulomb crystal mass spectrometry in a digital ion trap [PDF]
, 2015 We present a mass spectrometric technique for identifying the masses and relative abundances of Coulomb-crystallized ions held in a linear Paul trap.
Deb, Nabanita +6 more
core +2 more sources
Constrained Unfolding of a Helical Peptide: Implicit versus Explicit Solvents. [PDF]
PLoS ONE, 2015 Steered Molecular Dynamics (SMD) has been seen to provide the potential of mean force (PMF) along a peptide unfolding pathway effectively but at significant computational cost, particularly in all-atom solvents. Adaptive steered molecular dynamics (ASMD)
Hailey R Bureau +4 more
doaj +1 more source
Shifting Deer Hunting Strategies as a Result of Environmental Changes along the Little and Great Miami Rivers of Southwest Ohio and Southeast Indiana [PDF]
, 2020 This study analyzes white-tailed deer (Odocoileus virginianus) remains from five Fort Ancient archaeological sites along the Little and Great Miami Rivers of southwest Ohio and southeast Indiana to compare how the combination of varying ecologies ...
Baker, Sydney
core
Does chemistry need more physics ? (ASMD@D 2023)
, 2023 Talk given at the 28th Austin Symposium on Molecular Structure and Dynamics at Dallas, February 17-20, 2023 https://sites.smu.edu/dedman/austinsymposium/index ...
openaire +1 more source
Molecular Genetics and Metabolism Reports, 2021 Acid sphingomyelinase deficiency (ASMD) is a rare metabolic disorder due to biallelic mutation in the SMPD1 gene. The defect leads to the accumulation of sphingomyelin within the cells of the reticulo-endothelial system, particularly in the spleen, liver,
Annalisa Sechi +6 more
doaj +1 more source
British Journal of Clinical Pharmacology, EarlyView.Aim Hyponatremia is a common yet potentially serious adverse event associated with antidepressants. Identifying the antidepressant class with the least risk of hyponatremia would improve patient safety. Methods Using electronic medical records from 15 hospitals standardized into Observational Medical Outcomes Partnership Common Data Model (2003–2023 ...
Kyungyeon Jung +21 more
wiley +1 more source
Clinical Pharmacology &Therapeutics, EarlyView.Traditionally, clinical outcomes measuring how a patient feels, functions, or survives are preferred endpoints in clinical trials; however, some may take a long time to manifest in slowly developing diseases. Biomarkers, if properly validated, can serve as surrogate endpoints, acting as substitutes for clinical outcomes.
Renske Johanna Grupstra +4 more
wiley +1 more source
ASMD: An automatic framework for compiling multimodal datasets with audio and scores
, 2020 Accepted at the Sound and Music Computing Conference ...
Simonetta, Federico +2 more
openaire +2 more sources