## [Apbs-users] Another question regarding solvation energy

 [Apbs-users] Another question regarding solvation energy From: Assa Sittner - 2005-07-24 16:35:21 ```Hi there, as far as i know it (and correct me if i'm wrong) when calculating solvation energy i need to take into account two main factors: 1. electrostatic energy (from PB). 2. surface area term. how exactly do i calculate factor no. 2 using the APBS package? i can calculate surface area and weighted surface area using acc, but i don't know exactly what is this weighted surface area, and how it's calculated (refs are welcome). thanks, t. Assa Sittner Ribosomal crystallography group Dept. of structural biology. Weizmann inst. of science Israel. ```

 [Apbs-users] Another question regarding solvation energy From: Assa Sittner - 2005-07-24 16:35:21 ```Hi there, as far as i know it (and correct me if i'm wrong) when calculating solvation energy i need to take into account two main factors: 1. electrostatic energy (from PB). 2. surface area term. how exactly do i calculate factor no. 2 using the APBS package? i can calculate surface area and weighted surface area using acc, but i don't know exactly what is this weighted surface area, and how it's calculated (refs are welcome). thanks, t. Assa Sittner Ribosomal crystallography group Dept. of structural biology. Weizmann inst. of science Israel. ```
 Re: [Apbs-users] Another question regarding solvation energy From: Ran Friedman - 2005-07-25 16:42:40 Attachments: Message as HTML ```According to the references below, you can use S*47 cal/mol/A^2 as an estimate Ran. Biochemistry. 1991 Oct 8;30(40):9686-97 Science. 1991 Apr 5;252(5002):106-9. Assa Sittner wrote: >Hi there, >as far as i know it (and correct me if i'm wrong) >when calculating solvation energy i need to take into account two main >factors: >1. electrostatic energy (from PB). >2. surface area term. >how exactly do i calculate factor no. 2 using the APBS package? >i can calculate surface area and weighted surface area using acc, but i >don't know exactly what is this weighted surface area, and how it's >calculated (refs are welcome). >thanks, >t. > > > >Assa Sittner >Ribosomal crystallography group >Dept. of structural biology. >Weizmann inst. of science >Israel. > >_______________________________________________ >apbs-users mailing list >apbs-users@... >http://cholla.wustl.edu/mailman/listinfo/apbs-users > > +++++++++++++++++++++++++++++++++++++++++++ > This Mail Was Scanned By Mail-seCure System > at the Tel-Aviv University CC. > > -- ------------------------------------------------------ Ran Friedman Laser Laboratory for Fast Reactions in Biology Department of Biochemistry Faculty of Life Sciences Tel-Aviv University Tel. +972-3-6409824 Fax. +972-3-6409875 ------------------------------------------------------ ```