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Conformation and stereodynamics of 1,2-diaryltetrahydropyrimidine and of its five- and seven-membered ring analogs
(Elsevier, 2011-11)
The 1-(2-nitrophenyl)-2-(2-methylphenyl)-1,4,5,6-tetrahydropyrimidine and its five- and seven-membered ring analogs were synthesized and their conformational properties investigated by low temperature NMR spectroscopy and ...
Conformational Properties of Angiotensin II and Its Active and Inactive TOAC-Labeled Analogs in the Presence of Micelles. Electron Paramagnetic Resonance, Fluorescence, and Circular Dichroism Studies
(JOHN WILEY & SONS INC, 2009)
The interaction between angiotensin II (AII, DRVYIHPF) and its analogs carrying 2,2,6,6-tetramethylpiperidine-1-oxyl-4-amino-4-carboxylic acid (TOAC) and detergents-negatively charged sodium dodecyl sulfate (SDS) and ...
Exploring conformational space with thermal fluctuations obtained by normal-mode analysis
(American Chemical Society, 2020-06)
Proteins in their native states can be represented as ensembles of conformers in dynamical equilibrium. Thermal fluctuations are responsible for transitions between these conformers. Normal-modes analysis (NMA) using elastic ...
A multilevel strategy for the exploration of the conformational flexibility of small molecules
(American Chemical Society, 2012-05)
Predicting the conformational preferences of flexible compounds is still a challenging problem with important implications in areas such as molecular recognition and drug design. In this work, we describe a multilevel ...
Experimental and theoretical conformational studies on diallyl sulfide
(Elsevier Science, 2019-04-15)
The conformational properties of diallyl sulfide (DAS), CH 2 [dbnd]CH–CH 2 –S–CH 2 –CH[dbnd]CH 2 , were studied with DFT methods. Eleven structures were found as potential energy minima with the B3LYP/6-31G(d,p) approximation. ...
Introducing an architectural conformance process in continuous integration
(Journal of Universal Computer Science, 2019)
Postoperative Nasal Conformers in Cleft Rhinoplasty: Are They Efficacious?
(Wolters Kluwer Health, 2023)
Background: Lip and nose symmetry the goal of repair of unilateral cleft lip and different preoperative and postoperative treatments have been developed with this purpose. The objective of this study was to compare 2 ...
Conformational and electronic study of N-acetyl-L-isoleucine-N-methylamide using DFT and IPCM calculations
(John Wiley & Sons Inc, 2006-12)
A conformational and electronic study on N-acetyl-L-isoleucine-N- methylamide was carried out. All side-chain as well as backbone conformations were explored for this compound. Multidimensional conformational analysis ...
Conformational diversity and the emergence of sequence signatures during evolution
(Current Biology, 2015-03)
Proteins' native structure is an ensemble of conformers in equilibrium, including all their respective functional states and intermediates. The induced-fit first and the pre-equilibrium theories later, described how ...