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Armed with little more than a rucksack and a pocket volume of Horace, he began his trek in Rotterdam in December 1933 and headed east, bound for Istanbul.
We have recently developed a simple algorithm, called POVME (POcket Volume MEasurer), for this purpose.
Additionally, the lowering of activity is caused by lipophilic pocket volume.
Finally, a molecular dynamics simulation with human AChE indicated that the catalytic pocket volume stabilizes around 600 Å3, providing additional clues for drug design.
In part I of this study, the effects of pocket angle and size on metal flow were investigated and it is shown that pocket angle plays an important role influencing metal flow velocity, whilst pocket volume has much less effect on velocity.
Out of the six parameters, four corresponded to geometric descriptors of the interface (ASA, Gap volume, number of interfacial segments and pocket volume) and two to the chemical nature of the interface (percentage of charged residues and hydrogen bonds).
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These popularising pocket volumes highlight quotations from the great thinkers of the past and interweave them with interpretation that brings them closer to our own times.
Comparison with human cathepsin D showed that different pocket volumes and surface electrostatic potentials arise from substitutions in residues comprising the S4, S3, S2 and S3′ subsites.
Another, important, finding is that both friction and wear reduce monotonically as the sum of the pocket volumes along the stroke increases.
In addition to the five parameters defined above (ASA, Gap volume, number of segments at the interface, hydrogen bonds and percentage of charged residues), the combined pocket volumes at the interface were used in a principal component analysis (PCA) to separate the 2P2IDB dataset into different families.
We present Epock, an efficient command-line tool that calculates pocket volumes from MD trajectories.
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Since I tried Ludwig back in 2017, I have been constantly using it in both editing and translation. Ever since, I suggest it to my translators at ProSciEditing.

Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com