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Instead, our conformational analysis suggests significant differences in overall molecular conformation between the CLR regions of RyR1 and RyR3.
Because hemoglobin switches conformation between R (relaxed; oxygen binding; lungs) and T (taut; oxygen dumping; capillaries) conformational forms, and because protonation of His residues caused by changes in blood pH from the lungs to the capillaries is a key feature of the R → T switch, similar studies of hemoglobin switching, a system that may be more amenable to modeling, should be analyzed.
The structure is characterised by a full length α-helical conformation between residues F6 and A28.
BY increasing the torsional angle equal to 90° (perpendicular conformation), between two benzene rings, the current is strongly suppressed.
The docked structures point to the difference in conformation between Try101 (pfTrxR) and Glu72 (hTrxR) which is proposed to have significant contribution to the observed experimental selectivity.
The asymmetric trimer structure of AcrB provides a number of clues as to how this putative protonation site may change its local conformation between distinct phases.
This explanation may also apply to the essential role of the BamD subunit, which stabilizes the relative conformation between the BamA β-barrel and POTRA-5.
This may indicate the development of new inter-molecular and intra-molecular hydrogen bonds and a change in the conformation between PVA and CC (Oh et al. 2005).
The main objective of the molecular docking problem is to find a conformation between a small molecule (ligand) and a receptor molecule with minimum binding energy.
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To monitor differences in the input conformations between the two preparations of the bioactives, we calculated the pairwise RMSD for each bioactive molecule.
This can be attributed to the different lengths of diaminoalkanes (n = 4, 8, and 12) and their possible conformations between GO layers.
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