Results 81 to 90 of about 256,217 (299)
Effect of the cluster size in modeling the H_2 desorption and dissociative adsorption on Si(001)
, 1998 Three different clusters, Si_9H_12, Si_15H_16, and Si_21H_20, are used in density-functional theory calculations in conjunction with ab initio pseudopotentials to study how the energetics of H_2 dissociativ e adsorption on and associative desorption from
Kratzer, P., Penev, E., Scheffler, M.
core +1 more source
Digital twins to accelerate target identification and drug development for immune‐mediated disorders
FEBS Open Bio, EarlyView.Digital twins integrate patient‐derived molecular and clinical data into personalised computational models that simulate disease mechanisms. They enable rapid identification and validation of therapeutic targets, prediction of drug responses, and prioritisation of candidate interventions.
Anna Niarakis, Philippe Moingeon
wiley +1 more source
In this investigation of flare energetics, researchers sought to establish a comprehensive and self-consistent picture of the sources and transport of energy within a flare.
Bentley, R. D. +9 more
core +1 more source
Ge-substitutional defects and the r3xr3 <--> 3x3 transition in alpha--SnGe(111)
, 2001 The structure and energetics of Ge substitutional defects on the alpha-Sn/Ge(111) surface are analyzed using Density Functional Theory (DFT) molecular dynamics (MD) simulations.
Carpinelli J M +5 more
core +1 more source
Evolutionarily divergent DUF4465 domains have a common vitamin B12‐binding function
FEBS Open Bio, EarlyView.We show that DUF4465 family proteins, widespread across bacteria from gut microbiomes, hydrothermal vents, and soil, share a common vitamin B12‐binding function. These augmented β‐jellyroll proteins bind vitamin B12 via extended loops. Our findings establish sequence‐diverse DUF4465 proteins as a widespread class of B12‐binding proteins, highlighting ...
Charlea Clarke +4 more
wiley +1 more source
Systemic dysregulation of apolipoproteins in amyotrophic lateral sclerosis serum
FEBS Open Bio, EarlyView.Amyotrophic lateral sclerosis (ALS) is a fatal disease that damages motor neurons. This study found that people with ALS show significant changes in blood fats and the proteins that carry them. Several apolipoproteins were higher, lipid balances were altered, and normal protein–lipid relationships were disrupted.
Finula I. Isik +6 more
wiley +1 more source
Energy and exergy analysis of an air source heat pump under variable ambient conditions
Journal of Environmental Engineering and Landscape ManagementAir source heat pumps (ASHPs) are becoming an increasingly popular heating source for buildings. The paper presents an evaluation of the experimental data from ASHP operation during the heating season in Lithuania when the problem of the evaporator’s ...
Giedrė Streckienė +3 more
doaj +1 more source
Unidirectional Alleviation of the Diffraction Limit in Geometrically Anisotropic Photonics [PDF]
E3S Web of ConferencesRationally constructed materials have enabled access to optical capabilities beyond nature’s limitations, thanks to advances made in both theory and experiment.
El Badri Youssef +5 more
doaj +1 more source
Forces and energetics of intermittent swimming
, 2017 Experiments are reported on intermittent swimming motions. Water tunnel experiments on a nominally two-dimensional pitching foil show that the mean thrust and power scale linearly with the duty cycle, from a value of 0.2 all the way up to continuous ...
Floryan, Daniel +2 more
core +1 more source
FEBS Open Bio, EarlyView.Evolutionary analysis across 32 placental mammals identified positive selection at residues H148 and W149 in the immune receptor FcγR1. Ancestral reconstruction combined with molecular dynamics simulations reveals how these mutations may influence receptor structure and dynamics, providing insight into the evolution of antibody recognition and immune ...
David A. Young +7 more
wiley +1 more source