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Toplam kayıt 9, listelenen: 1-9
Co Doping Induced Structural And Optical Properties Of Sol-Gel Prepared Zno Thin Films
(Elsevier Science Bv, 2014)
The preparation conditions for Co doping process into the ZnO structure were studied by the ultrasonic spray pyrolysis technique. Structural and optical properties of the Co:ZnO thin films as a function of Co concentrations ...
Folding And Self-Assembly Of A Small Heterotetramer
(Amer Inst Physics, 2014)
Designed miniproteins offer a possibility to study folding and association of protein complexes, both experimentally and in silico. Using replica exchange molecular dynamics and the coarse-grain UNRES force field, we have ...
The High Pressure Structure And Equation Of State Of 2,6-Diamino-3,5-Dinitropyrazine-1-Oxide (Llm-105) Up To 20 Gpa: X-Ray Diffraction Measurements And First Principles Molecular Dynamics Simulations
(Amer Inst Physics, 2015)
Recent theoretical studies of 2,6-diamino-3,5-dinitropyrazine-1-oxide (C4H4N6O5 Lawrence Liver-more Molecule No. 105, LLM-105) report unreacted high pressure equations of state that include several structural phase ...
Theoretical Investigation Of The Anti-Parkinson Drug Rasagiline And Its Salts: Conformations And Infrared Spectra
(Sciendo, 2012)
The conformational analysis of rasagiline [N-propargyl-1(R)-aminoindan] was performed by the density functional theory (DFT) B3LYP method using the 6-31++G (d,p) basis set. A single point energy calculations based on the ...
Sampling of Protein Folding Transitions: Multicanonical Versus Replica Exchange Molecular Dynamics
(Amer Chemical Soc, 2013)
We compare the efficiency of multicanonical and replica exchange molecular dynamics for the sampling of folding/unfolding events in simulations of proteins with end-to-end beta-sheet. In Go-model simulations of the 75-residue ...
Self-Assembled Peptide Amphiphile Nanofibers And Peg Composite Hydrogels As Tunable Ecm Mimetic Microenvironment
(Amer Chemical Soc, 2015)
Natural extracellular matrix (ECM) consists of complex signals interacting with each other to organize cellular behavior and responses. This sophisticated microenvironment can be mimicked by advanced materials presenting ...
Orthogonal Bodipy Trimers As Photosensitizers For Photodynamic Action
(Amer Chemical Soc, 2016)
Orthogonally linked BODIPY units shale exceptional intersystem crossing efficiencies. We now report orthogonal BODIPY trimers with strong absorption in the visible region and high singlet oxygen generation capability. The ...
Supramolecular Nanostructure Formation of Coassembled Amyloid Inspired Peptides
(Amer Chemical Soc, 2016)
Characterization of amyloid-like aggregates through converging approaches can yield deeper understanding of their complex self-assembly mechanisms and the nature of their strong mechanical stability, which may in turn ...
Supramolecular Gag-Like Self-Assembled Glycopeptide Nanofibers Induce Chondrogenesis and Cartilage Regeneration
(Amer Chemical Soc, 2016)
Glycosaminoglycans (GAGs) and glycoproteins are vital components of the extracellular matrix, directing cell proliferation, differentiation, and migration and tissue homeostasis. Here, we demonstrate supramolecular GAG-like ...