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Published in 2022 at "Molecules"
DOI: 10.3390/molecules27061937
Abstract: High level DLPNO–CCSD(T) electronic structure calculations with extended basis sets over B3LYP–D3 optimized geometries indicate that the three methyl groups in caffeine overcome steric hindrance to adopt uncommon conformations, each one placing a C–H bond…
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Keywords:
preferences caffeine;
aromatic system;
analysis conformational;
conformational preferences ... See more keywords
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Published in 2022 at "Molecules"
DOI: 10.3390/molecules27134037
Abstract: Obesity is a chronic disease with increasing cases among children and adolescents. Melanocortin 4 receptor (MC4R) is a G protein-coupled transporter involved in solute transport, enabling it to maintain cellular homeostasis. MC4R mutations are associated…
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Keywords:
molecular analysis;
disease;
mc4r;
conformational dynamics ... See more keywords
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Published in 2020 at "JPMA. The Journal of the Pakistan Medical Association"
DOI: 10.47391/jpma.063
Abstract: OBJECTIVE To find the effect of pathogenic Mitofusin 2 mutations, responsible for Charcot-Marie-Tooth hereditary neuropathy type 2A, on protein structure. Methods The study was conducted at department of biosciences COMSATS University Islamabad, Sahiwal campus from…
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Keywords:
analysis;
analysis conformational;
conformational changes;
structure ... See more keywords