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mm:parameters:lipids:phosphatidylcholines_pc: 28 Hits

when available). For the DOPC phospholipid, order parameters for the acyl chains are displayed and compared with experiment. These parameters were obtained under the General Amber Force Field (GAFF) terminology and general parameters. ### ---- ==== DOPC ==== //1,2-dioleoyl-sn-glycero-3-phosphocholine// | {{ mm:parameters:lipids:dopc.png?60 }} | Name | //1,2-dioleoyl-sn-glycero-3-phosphocholine//

mm:parameters:lipids:phosphatidylethanolamines_pe: 26 Hits

er with experimental data (when available). These parameters were obtained under the General Amber Force Field (GAFF) terminology and general parameters. ### ---- ==== DLPE ==== //1,2-dilauroyl-sn-glycero-3-phosphoethanolamine// | {{ mm:parameters:lipids:dlpe.png?70 }} | Name | //1,2-dilauroyl-sn-g... </sub>-sn₂ | 12:0/12:0 ||| | ::: | parameters | {{ mm:parameters:lipids:dle_frcmod.zip | frcm

mm:parameters:manganese: 25 Hits

=== INDEX BY METALLOCENTRE === | {{ :mm:parameters:manganese:manganese_centres.png?350| }} || |:::| [[MM:parameters:manganese:DDWaWaWaWa]] | |:::| [[MM:parameters:manganese:DED[CL]]] | |:::| [[MM:parameters:manganese:DEDWaWaWa]] | |:::| [[MM:parameters:manganese:DEE[SO2] ]] | |:::| [[MM:parameters:manganese:DENWaWaWa]] | |:::| [[MM:parameters:manganese:ED[PY2]WaWa]] | |:::| [[MM:parameters

molecular_mechanics: 19 Hits

ions. The Data Base presented comprehends sets of parameters developed by the group during round the last ten years. ### * A first set of parameters accounts for the **systematic parameterization of 12 commo... the General Amber Force Field (GAFF), with charge-parameters determined with RESP at the HF/6–31G(d) level of ... s**. We include bond stretching and angle bending parameters, as well as single point atomic charges for sever

mm:parameters:manganese:hhdhwa: 13 Hits

ons. ### | **COORDINATION SPHERE** || | {{ :mm:parameters:manganese:non-parameterized_hhdhw_.png?120 |}} | ... 9286749290270M | [Borgstahl, 1992]]] || ===== Parameters Determined ===== ==== Atom Types ==== | **AT... STRUCTURE** | | MN | M1 | 54.938 | {{ :mm:parameters:manganese:parameterized_hhdhw_.png?120 |}} | | ... : | | HW | HM | 1.00794 | ::: | ==== Bond Parameters ==== | **BOND** | **K_l** / **kcal

mm:parameters:manganese:ddwawawawa: 13 Hits

les. ### | **COORDINATION SPHERE** || | {{ :mm:parameters:manganese:non-parameterized_ddwwww_.png?120 |}} |... /95/9/4831.long | [Lubkowski, 1998]]] || ===== Parameters Determined ===== ==== Atom Types ==== | **ATOM... STRUCTURE** | | MN | M1 | 54.938 | {{ :mm:parameters:manganese:parameterized_ddwwww_.png?120 |}} | | ... :: | | HW | HM | 1.00794 | ::: | ==== Bond Parameters ==== | **BOND** | **K_l** / **kcal

mm:parameters:manganese:ded_cl: 13 Hits

n. ### | **COORDINATION SPHERE** || | {{ :mm:parameters:manganese:non-parameterized_dedcl_.png?120 |}} | ... 1?dopt=Abstract | [Kleywegt, 1996]]] || ===== Parameters Determined ===== ==== Atom Types ==== | **AT... STRUCTURE** | | MN | M1 | 54.938 | {{ :mm:parameters:manganese:parameterized_dedcl_.png?120 |}} | | ... | | OE2 | E1 | 15.9994 | ::: | ==== Bond Parameters ==== | **BOND** | **K_l** / **kcal

mm:parameters:manganese:dedwawawa: 13 Hits

e. ### | **COORDINATION SPHERE** || | {{ :mm:parameters:manganese:non-parameterized_dedwww_.png?120 |}} |... /10.1021/bi802277h | [Sakai, 2009]]] || ===== Parameters Determined ===== ==== Atom Types ==== | **AT... STRUCTURE** | | MN | M1 | 54.938 | {{ :mm:parameters:manganese:parameterized_dedwww_.png?120 |}} | | ... : | | HW | HM | 1.00794 | ::: | ==== Bond Parameters ==== | **BOND** | **K_l** / **kcal

mm:parameters:manganese:dee_so2: 13 Hits

te. ### | **COORDINATION SPHERE** || | {{ :mm:parameters:manganese:non-parameterized_deeso2_.png?120 |}} |... 021/bi00102a019 | [Neidhart, 1991]]] || ===== Parameters Determined ===== ==== Atom Types ==== | **AT... STRUCTURE** | | MN | M1 | 54.938 | {{ :mm:parameters:manganese:parameterized_deeso2_.png?120 |}} | | ... | | OE1 | E2 | 15.9994 | ::: | ==== Bond Parameters ==== | **BOND** | **K_l** / **kcal

mm:parameters:manganese:denwawawa: 13 Hits

it. ### | **COORDINATION SPHERE** || | {{ :mm:parameters:manganese:non-parameterized_denwww_.png?120 |}} |... OF THE STRUCTURE | [Fedorov, 2010]]] || ===== Parameters Determined ===== ==== Atom Types ==== | **AT... STRUCTURE** | | MN | M1 | 54.938 | {{ :mm:parameters:manganese:parameterized_denwww_.png?120 |}} | | ... : | | HW | HM | 1.00794 | ::: | ==== Bond Parameters ==== | **BOND** | **K_l** / **kcal

mm:parameters:manganese:hdewawawa: 13 Hits

te. ### | **COORDINATION SPHERE** || | {{ :mm:parameters:manganese:non-parameterized_hdewww_.png?120 |}} |... S0005272809001315 | [Koepke, 2009]]] || ===== Parameters Determined ===== ==== Atom Types ==== | **AT... STRUCTURE** | | MN | M1 | 54.938 | {{ :mm:parameters:manganese:parameterized_hdewww_.png?120 |}} | | ... : | | HW | HM | 1.00794 | ::: | ==== Bond Parameters ==== | **BOND** | **K_l** / **kcal

mm:parameters:manganese:ed_py2_wawa: 13 Hits

I). ### | **COORDINATION SPHERE** || | {{ :mm:parameters:manganese:non-parameterized_edpy2ww_.png?120 |}} ... .1021/bi0524262 | [Williams, 2006]]] || ===== Parameters Determined ===== ==== Atom Types ==== | **AT... STRUCTURE** | | MN | M1 | 54.938 | {{ :mm:parameters:manganese:parameterized_edpy2ww_.png?120 |}} | |... : | | HW | HM | 1.00794 | ::: | ==== Bond Parameters ==== | **BOND** | **K_l** / **kcal

mm:parameters:manganese:hhdh_ho: 13 Hits

ons. ### | **COORDINATION SPHERE** || | {{ :mm:parameters:manganese:non-parameterized_hhdhho_.png?120 |}} |... 9286749290270M | [Borgstahl, 1992]]] || ===== Parameters Determined ===== ==== Atom Types ==== | **AT... STRUCTURE** | | MN | M1 | 54.938 | {{ :mm:parameters:manganese:parameterized_hhdhho_.png?120 |}} | | ... : | | HO | HM | 1.00794 | ::: | ==== Bond Parameters ==== | **BOND** | **K_l** / **kcal

mm:parameters:manganese:hhdh_ho_o: 13 Hits

ies. ### | **COORDINATION SPHERE** || | {{ :mm:parameters:manganese:non-parameterized_hhdhhoo_.png?120 |}} ... /10.1021/bi00005a021 | [Lah, 1995]]] || ===== Parameters Determined ===== ==== Atom Types ==== | **AT... STRUCTURE** | | MN | M1 | 54.938 | {{ :mm:parameters:manganese:parameterized_hhdhhoo_.png?120 |}} | |... : | | HO | HM | 1.00794 | ::: | ==== Bond Parameters ==== | **BOND** | **K_l** / **kcal

mm:parameters:zinc:hdcc: 13 Hits

mm:parameters:manganese:hhe_d2: 13 Hits

mm:parameters:zinc:hc_d2: 13 Hits

mm:parameters:manganese:hhewawa: 13 Hits

mm:parameters:zinc:hdc_czl: 13 Hits

mm:parameters:zinc:hdc_fp: 13 Hits

mm:parameters:zinc:hdc: 12 Hits

mm:parameters:iron:cccc: 10 Hits

mm:parameters:iron:cc_c_2: 10 Hits

mm:parameters:iron:cc_fe_ss_fe_cc: 9 Hits

mm:parameters:zinc: 9 Hits

mm:parameters:copper_zinc:hhh_cu_h_zn_dhh: 8 Hits

mm:parameters:iron: 7 Hits

mm:parameters:lipids: 7 Hits

mm:parameters:copper: 3 Hits

mm:parameters:lipids:example_page: 2 Hits

benchmarks: 2 Hits

sidebar: 1 Hits

wiki:syntax: 1 Hits