Thank you Daniel and Bruno.
On Thu, Mar 8, 2012 at 12:27 AM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> 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>
> >>
> >>
> >>
> >>
> >>
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> >>
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Received on Wed Mar 07 2012 - 21:30:03 PST
