Browsing by Publisher "Amer Chemical Soc"
Now showing items 1-13 of 13
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Classification Of Distinct Conformers Of Beta < 2-Adrenergic Receptor (Beta 2-AR) Based On Binding Affinity Of Ligands Through Docking Studies
(Amer Chemical Soc, 2016)B2AR reseptörü, akciğerlerin rahatlamasında ve kardiyovasküler fizyolojide rol oynamasıyla önemli bir ilaç hedefidir. Bu çalışmada, çeşitli B2AR konformasyonlarını aktif veya inaktif olarak sınıflandırmak amacıyla, ... -
COMP 297-Experimental and molecular docking simulation studies of Histone deacetylases (HDACs) enzyme inhibitors
(Amer Chemical Soc, 2007)[Abstract Not Available] -
Computational Analysis of a Zn-Bound Tris(imidazolyl) Calix[6]arene Aqua Complex: Toward Incorporating Second-Coordination Sphere Effects into Carbonic Anhydrase Biomimetics
(Amer Chemical Soc, 2013)Molecular dynamics simulations and quantum-mechanical calculations were performed to characterize a supra-molecular tris(imidazolyl) calix[6]arene Zn2+ aqua complex as a biomimetic model for the catalyzed hydration of ... -
Correlation of Experimental Liquid-Liquid Equilibrium Data for Ternary Systems Using NRTL and GMDH-Type Neural Network
(Amer Chemical Soc, 2017)In this work liquid liquid equilibrium (LLE) data for the ternary systems (water + propionic acid + solvent) were experimentally obtained at atmospheric pressure and 298.2 K. The ternary systems show type-1 behavior of ... -
Efficient Photocatalytic Degradation of Methylene Blue Dye from Aqueous Solution with Cerium Oxide Nanoparticles and Graphene Oxide-Doped Polyacrylamide
(Amer Chemical Soc, 2023)A cerium oxide nanoparticles (CeO2-NPs)/graphene oxide (GO)/polyacrylamide (PAM) ternary composite was synthesized through free-radical polymerization of acrylamide in the presence of CeO2 nanoparticles and GO in an aqueous ... -
In Silico Modeling of Dopamine Transporter and Design of Novel Neuroprotective Agents
(Amer Chemical Soc, 2016)[Abstract Not Available] -
Intermolecular interactions in human HDAC8 crystal structures and the stability of binding modes of co-crystallized inhibitors
(Amer Chemical Soc, 2019)[Abstract Not Available] -
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 ... -
A it-Electron Rich Cage via the Friedel-Crafts Reaction
(Amer Chemical Soc, 2022)A prism-shaped cage was obtained via the Friedel-Crafts reaction in a 2:3 mixture of trisfuryl and bis-isopropenyl precursors, in a remarkable yield of 40% considering six C-C bonds formed in a one-pot manner. The cage ... -
MEDI 333-Histone deacetylase inhibition activity of resveratrol and its analogs
(Amer Chemical Soc, 2007)[Abstract Not Available] -
Multicolor Photoluminescence from Nonconjugated Poly(3,4-dihydropyran) Nanoparticles
(Amer Chemical Soc, 2023)In recent years, nonconjugated organic luminophores arereceivingconsiderable interest from the scientific community, offering a newconceptual basis for the development of alternative photoluminescence-basedtechnologies. ... -
Soman as a wrench in the works of human acetylcholinesterase: Soman induced conformational changes revealed by molecular dynamics simulations
(Amer Chemical Soc, 2014)[Abstract Not Available] -
Thermal rearrangement of 2-acetoxy-266 trimethylbicyclo[3.1.0]hexane: Theoretical elucidation of the mechanism
(Amer Chemical Soc, 2007)[Abstract Not Available]