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Examining the stability of binding modes of the co-crystallized inhibitors of human HDAC8 by molecular dynamics simulation
(Taylor & Francis Inc, 2019)
Histone deacetylase (HDAC) 8 has been implicated as a potential therapeutic target in a variety of cancers neurodegenerative disorders metabolic dysregulation and autoimmune and inflammatory diseases. Several nonselective ...
Effects of GNP addition on optical properties and band gap energies of PMMA films
(Wiley, 2019)
In this study the effects of graphene nanoplatelet (GNP) doping on the optical parameters (absorption coefficient alpha and extinction coefficient k) and the optical transition energies (optical band gap and Urbach energies) ...
Identification of potential isoform-selective histone deacetylase inhibitors for cancer therapy: a combined approach of structure-based virtual screening ADMET prediction and molecular dynamics simulation assay
(Taylor & Francis Inc, 2018)
Histone deacetylases (HDACs) have gained increased attention as targets for anticancer drug design and development. HDAC inhibitors have proven to be effective for reversing the malignant phenotype in HDAC-dependent cancer ...
Intrinsic Dynamics and Causality in Correlated Motions Unraveled in Two Distinct Inactive States of Human beta(2)-Adrenergic Receptor
(Amer Chemical Soc, 2019)
The alternative inactive state of the human beta(2)-adrenergic receptor originally exposed in molecular dynamics simulations was investigated using various analysis tools to evaluate causality between correlated residue-pair ...
Electrical and optical percolations in PMMA/GNP composite films
(Taylor & Francis Ltd, 2018)
Effects of graphene nanoplatelet (GNP) addition on the electrical conductivity and optical absorbance of poly(methyl methacrylate)/graphene nanoplatelet (PMMA/GNP) composite films were studied. Optical absorbance and two ...
Ligand-binding affinity of alternative conformers of human beta(2)-adrenergic receptor in the presence of intracellular loop 3 (ICL3) and their potential use in virtual screening studies
(Wiley, 2019)
This study investigates the structural distinctiveness of orthosteric ligand-binding sites of several human beta(2) adrenergic receptor (beta(2)-AR) conformations that have been obtained from a set of independent molecular ...
Optical energy band gap of PAAm-GO composites
(Elsevier Science, 2018)
Graphene oxide (GO) can be used as an electron acceptor for polymers. The generation of the exciton in such materials is intimately related to the optical band gap. Polyacrylamide (PAAm) - graphene oxide (GO) composites ...
Temperature Effect on the Elasticity of Acrylamide-n-Isopropylacrylamide Copolymers
(Taylor & Francis Inc, 2018)
Acrylamide (AAm) - N-isopropylacrylamide (NIPA) copolymers were prepared via free radical crosslinking copolymerization with various weight percentages (wt%) of AAm and NIPA. The temperature dependence of the compressive ...
New insights into the regulatory function of CYFIP1 in the context of WAVE- and FMRP-containing complexes
(Company of Biologists Ltd, 2017)
Cytoplasmic FMRP interacting protein 1 (CYFIP1) is a candidate gene for intellectual disability (ID) autism schizophrenia and epilepsy. It is a member of a family of proteins that is highly conserved during evolution sharing ...
Corrected Panel-Reactive Antibody Positivity Rates for Hypersensitized Patients in Turkish Population With Calculated Panel-Reactive Antibody Software
(Elsevier Science Inc, 2017)
however the rate was 86.2% using the cPRA. Discussion. cPRA shows the rate of the rejected donors according to all unacceptable antigens. The need for a list of unacceptable antigens in place of the PRA positivity rate is ...