Results 101 to 110 of about 86,021 (314)
Uniting cheminformatics and chemical theory to predict the intrinsic aqueous solubility of crystalline druglike molecules [PDF]
, 2014 We present four models of solution free-energy prediction for druglike molecules utilizing cheminformatics descriptors and theoretically calculated thermodynamic values.
van Mourik, Tanja +17 more
core +1 more source
FEBS Letters, EarlyView.This study reveals that the small GTPase Rab14 is necessary for human papillomavirus (HPV) infection and plays an essential role in the transport of virions to the trans‐Golgi network (TGN). HPV in the early endosome (EE), which harbors GTP‐bound Rab14, is transported to the TGN through the switch of Rab14 from its GTP‐bound to GDP‐bound form.
Yoshiyuki Ishii, Iwao Kukimoto
wiley +1 more source
ChemElectroChemAqueous zinc‐ion batteries (AZIBs) are widely regarded as promising next‐generation energy storage systems due to the low cost, inherent safety, and environmental compatibility, However, the practical application of AZIBs is still hindered by ...
Zhenyu Li +8 more
doaj +1 more source
Degradation mechanism of the von Willebrand factor A2 domain by nattokinase
FEBS Letters, EarlyView.Nattokinase, a natto‐derived protease, exhibits potent antithrombotic effects. This study demonstrates that nattokinase directly cleaves the von Willebrand factor (vWF) A2 domain in vitro. Unlike the native regulator ADAMTS13, nattokinase degrades folded vWF independently of shear stress.
Ryuichi Hyakumoto +3 more
wiley +1 more source
Solvation-Dependent Excited-State Dynamics of Donor–Acceptor Molecules with Hybridized Local and Charge Transfer Character [PDF]
, 2020 Recently, an organic synthetic strategy based on hybridized local and charge transfer (HLCT) character has been attracting much attention because of its potential for designing high-efficiency organic light-emitting diode materials.
Silvije Vdović (1900138) +8 more
core +1 more source
Frontiers in Energy Research, 2020 The spinel Co3O4 has many beneficial properties for potential use in catalysis. In operando, water is always present and alters the properties of the catalyst.
T. Kox, E. Spohr, E. Spohr, S. Kenmoe
doaj +1 more source
Modulation of Homer1 EVH1 domain internal dynamics by putative autism‐associated mutations
FEBS Letters, EarlyView.The putative autism‐associated M65I and S97L variants of the EVH1 domain of the postsynaptic scaffold protein Homer1 do not exhibit substantial changes in their overall structure or partner binding. Both of them, but especially the M65I variant, show altered internal dynamics relative to the wild‐type domain on the μs‐ms timescale, indicated by the ...
Fanni Farkas +6 more
wiley +1 more source
Química Nova, 2004 The structure and hydration of the HNP-3 have been derived from molecular dynamics data using root mean square deviation, radial and energy distributions. Three antiparallel beta sheets were found to be preserved.
Adriana M. Namba, Léo Degrève
doaj +1 more source
Solvation pressure in chloroform
The Journal of Chemical Physics, 2006 Molecular dynamics (MD) simulations of chloroform vapor and liquid at normal temperature and pressure and liquid under hydrostatic pressure are presented, giving bond lengths and vibrational frequencies as functions of pressure. The change in bond lengths between vapor and liquid at normal temperature and pressure is consistent with a pressure ...
Hubel, H +3 more
openaire +5 more sources
FEBS Letters, EarlyView.An unexpected alternative interaction site for ethyl viologen was identified in formate dehydrogenase 1 from Methylorubrum extorquens. Combined mutagenesis, kinetic analysis, and docking revealed that aromatic residues near an iron–sulfur cluster enable flavin mononucleotide‐independent electron transfer, offering a framework for engineering improved ...
Eleni G. Poloniataki, Yong Hwan Kim
wiley +1 more source