Re: [AMBER] How to choose between implicit and explicit solvent

From: Jason Swails <jason.swails.gmail.com>
Date: Wed, 4 Nov 2015 09:07:48 -0500

On Wed, Nov 4, 2015 at 8:47 AM, Jean-Patrick Francoia <
jeanpatrick.francoia.gmail.com> wrote:

> Ok, thank you for your answers. My problem is that I haven't a solid
> background to judge my work.
>
> Could you advice some papers to increase my general knowledge of
> mechanic molecular modelling ? (Not too much maths please, just general
> knowledge).
>

​How general? For very general information, I've found that textbooks can
be a good place to start. Cramer's and Leach's are ones I've found very
helpful in the past. There are many references in those books as well that
can be helpful for going beyond the introductory material.

Cramer's book:
http://www.amazon.com/Essentials-Computational-Chemistry-Theories-Models/dp/0470091827
Leach's book:
http://www.amazon.com/Molecular-Modelling-Principles-Applications-2nd/dp/0582382106/ref=sr_1_3?s=books&ie=UTF8&qid=1446645931&sr=1-3&keywords=leach+computational+chemistry

You can also type "generalized born review" into Google Scholar and get a
number of useful hits for GB-specific papers (the first few hits that come
up are good reviews).

HTH,
Jason

-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Wed Nov 04 2015 - 06:30:04 PST