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Response to “a fast and simple method to calculate protonation states in proteins”

✍ Scribed by Lars Sandberg; Olle Edholm

Publisher
John Wiley and Sons
Year
2000
Tongue
English
Weight
37 KB
Volume
40
Category
Article
ISSN
0887-3585

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📜 SIMILAR VOLUMES

A fast and simple method to calculate pr
A fast and simple method to calculate protonation states in proteins
✍ Lars Sandberg; Olle Edholm 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 144 KB

A simple model for electrostatic interactions in proteins, based on a distance and position dependent screening of the electrostatic potential, is presented. It is applied in conjunction with a Monte Carlo algorithm to calculate pK ␣ values of ionizable groups in proteins. The purpose is to furnish

Comment on “a fast and simple method to
Comment on “a fast and simple method to calculate protonation states in proteins”
✍ E.L. Mehler; A. Warshel 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 42 KB

We were attracted to the recent article by Sandberg and Edholm 1 (SE) in which the authors describe a fast way to calculate protonation states in proteins by using a distance-and position-dependent screening of the Coulomb potential. Because this article embodies some common misconceptions regarding

A computer simulation method to calculat
A computer simulation method to calculate concentration profiles in polymeric membranes
✍ Siddaramaiah; P. Mallu; H. G. Naik; T. M. Aminabhavi 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 192 KB 👁 1 views

In an earlier article, 1 the results of sorption and diffusion for aldehydes and ketones through castor oil-based interpenetrating networks (IPNs) of polyurethanepolystyrene (PU-PS) were obtained in the temperature interval of 25-60°C. In that study, it was observed that