https://web.fc.up.pt/PortoBioComp/database/ 2026-05-04T07:02:58+01:00 https://web.fc.up.pt/PortoBioComp/database/ https://web.fc.up.pt/PortoBioComp/database/lib/tpl/dokuwiki/images/favicon.ico text/html 2013-08-06T15:57:39+01:00 https://web.fc.up.pt/PortoBioComp/database/doku.php?id=mm:parameters:copper&rev=1375801059&do=diff INDEX BY METALLOCENTRE [ ] HHH[Cu]H[Zn]DHH ---------- INDEX BY PROTEIN Cu, Zn Superoxide Dismutase text/html 2013-08-06T14:52:21+01:00 https://web.fc.up.pt/PortoBioComp/database/doku.php?id=mm:parameters:iron&rev=1375797141&do=diff [ ] CCCC CC[C]2 CC[FE]SS[FE]CC ---------- INDEX BY PROTEIN Rubredoxin Desulforedoxin Ferrodoxin text/html 2013-10-03T18:59:55+01:00 https://web.fc.up.pt/PortoBioComp/database/doku.php?id=mm:parameters:lipids&rev=1380823195&do=diff [ ] Phosphatidylcholines (PC) Phosphatidylethanolamines (PE) The following charge parameters for 12 distinct phospholipids were determined, following an AMBER compatible approach. These parameters were validated by building a bilayer system for each phospholipid type and by comparing structural and dynamical values with experimental available data. When considering the DOPC phospholipid a good correlation with experimental available data was obtained. These parameters were obtained under… text/html 2013-08-05T19:18:59+01:00 https://web.fc.up.pt/PortoBioComp/database/doku.php?id=mm:parameters:manganese&rev=1375726739&do=diff INDEX BY METALLOCENTRE [ ] DDWaWaWaWa DED[CL] DEDWaWaWa DEE[SO2] DENWaWaWa ED[PY2]WaWa HDEWaWaWa HHDH[HO] HHDH[HO]O HHDHWa HHE[D2] HHEWaWa ---------- INDEX BY PROTEIN Superoxide Dismutase (resting state) Superoxide Dismutase (resting state) Superoxide Dismutase (with substrate) Citochrome C Oxidase D-Glutarate Dehydratase Integrase Muconate Cycloisomerase Pyruvate Kinase Homoprotocatechuate-2,3-Dioxygenase Mandelate… text/html 2013-08-06T15:56:22+01:00 https://web.fc.up.pt/PortoBioComp/database/doku.php?id=mm:parameters:zinc&rev=1375800982&do=diff INDEX BY METALLOCENTRE [ ] HC[D2] HDCC HDC[CZL] HHH[Cu]H[Zn]DHH ---------- INDEX BY PROTEIN Farnesyltransferase (resting state) Farnesyltransferase (with FPP) Farnesyltransferase (with farnesyl diphosphate and peptide inhibitor) Farnesyltransferase (with product)