✦ LIBER ✦

Accessible Surface Areas of Coals

✍ Scribed by MAGGS, F. A. P.

Book ID: 109569496
Publisher: Nature Publishing Group
Year: 1952
Tongue: English
Weight: 116 KB
Volume: 169
Category: Article
ISSN: 0028-0836
DOI: 10.1038/169269a0

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📜 SIMILAR VOLUMES

✍ DRYDEN, I. G. C. 📂 Article 📅 1952 🏛 Nature Publishing Group 🌐 English ⚖ 229 KB

Accessible Surface Areas of Coals

✍ NAGELSCHMIDT, G.; CARTWRIGHT, J. 📂 Article 📅 1952 🏛 Nature Publishing Group 🌐 English ⚖ 469 KB

Pairwise calculation of protein solvent-

Pairwise calculation of protein solvent-accessible surface areas

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On the precision of calculated solvent-accessible surface areas

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The fact that protein structures are dynamic by nature and that structure models determined by X-ray crystallography, electron microscopy (EM) and nuclear magnetic resonance (NMR) spectroscopy have limited accuracy limits the precision with which derived properties can be reported. Here, the issue o

Optimization of Gaussian surface calcula

Optimization of Gaussian surface calculations and extension to solvent-accessible surface areas

✍ Weiser, J�rg; Shenkin, Peter S.; Still, W. Clark 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 337 KB

We explored the use of several breadth-first and depth-first algorithms for the computation of Gaussian atomic and molecular surface areas. Ž . Our results for whole-molecule van der Waals surface areas vdWSAs were 10 times more accurate in relative error, relative to actual hard-sphere areas, than

Approximate solvent-accessible surface a

Approximate solvent-accessible surface areas from tetrahedrally directed neighbor densities

✍ Jörg Weiser; Peter S. Shenkin; W. Clark Still 📂 Article 📅 1999 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 67 KB

A fast analytical formula (TDND) has been derived for the calculation of approximate atomic and molecular solvent-accessible surface areas (SASA), as well as the first and second derivatives of these quantities with respect to atomic coordinates. Extending the work of Stouten et al. (Molecular Simul