Here is the citation for the LCPO method:
.article {JCC:JCC4,
author = {Weiser, Jörg and Shenkin, Peter S. and Still, W. Clark},
title = {Approximate atomic surfaces from linear combinations of
pairwise overlaps (LCPO)},
journal = {Journal of Computational Chemistry},
volume = {20},
number = {2},
publisher = {John Wiley & Sons, Inc.},
issn = {1096-987X},
url = {
http://dx.doi.org/10.1002/(SICI)1096-987X(19990130)20:2<217::AID-JCC4>3.0.CO;2-A},
doi = {10.1002/(SICI)1096-987X(19990130)20:2<217::AID-JCC4>3.0.CO;2-A},
pages = {217--230},
keywords = {van der Waals surface area (vdWSA), solvent accessible
surface area (SASA), analytical surface areas, derivatives,
neighbor-list reduction (NLR)},
year = {1999},
}
On Wed, Mar 7, 2012 at 3:51 AM, setyanto md <stwahyudi.md.gmail.com> wrote:
> Thanks Dr. Bruni Luis this is so useful.
>
> May I ask about this method and also LCPO method.
>
> What is the algortihm used by MOLSPACE and LCPO
>
> Thank you
> Setyanto
>
> 2012/3/6 Bruno Luís Pinto de Oliveira <boliveira.itn.pt>
>
>> Dear John
>>
>> You can look at Molspace (
>> http://compbiochem.org/Software/molspace/Home.html ).
>> This VMD plug-in can compute the residues surface and cavities volume.
>>
>> Best regards
>>
>> .....................................................................................................................................................
>> Bruno L. Oliveira
>> Radiopharmaceutical Sciences Group
>> Chemistry Department , ITN
>> http://www.itn.pt/sec/qui/qir/uk_qir_index.htm
>> http://www.boliveira.com
>>
>> ________________________________________
>> De: Beale, John [John.Beale.stlcop.edu]
>> Enviado: terça-feira, 6 de Março de 2012 11:08
>> Para: amber.ambermd.org
>> Assunto: [AMBER] SASA Plot
>>
>> I need to compute and plot the SASA on a per-residue basis for my peptide.
>> Can someone provide me with a method for doing this?
>>
>> Thanks!
>>
>> John
>>
>> John M. Beale, Jr., Ph.D.
>> Professor of Medicinal Chemistry and Pharmacognosy
>> Saint Louis College of Pharmacy
>> Department of Neurology, Washington University School of Medicine
>> Office: 314-446-8461
>> Cell: 314-315-0409
>> FAX: 314-446-8460
>> John.Beale.stlcop.edu<mailto:John.Beale.stlcop.edu>
>> bealej.neuro.wustl.edu<mailto:bealej.neuro.wustl.edu>
>>
>>
>>
>>
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Mar 07 2012 - 09:30:02 PST
