Publications
Marcus T. Hock, Abigail E. Teitgen, Kimberly J. McCabe, Sophia P. Hirakis, Gary A. Huber, Michael Regnier, Rommie E. Amaro, J. Andrew McCammon, Andrew D. McCulloch. Multiscale Computational Modeling of the Effects of 2’-deoxy-ATP on Cardiac Muscle Calcium Handling.
| Dynamic id | Receptor | Model name | Uniprot entry name | Uniprot ID | Family | Class | PDB ID | State | Species | Model type | Source type | Ligand(s) | Num. of atoms | Membrane composition | Accum. sim. time (µs) | Software | Force field | Submitted by | ||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| View | 1301 | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | SERCA GaMD rep 1 | P16615 | None | 3W5A | None | Homo sapiens | Complex | X-ray | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 Magnesium | 15409 | 0.21 | Amber 20 | Amber FF19SB | Abigail Teitgen, University of California, San Diego | Report | |||
| View | 1302 | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | SERCA GaMD rep 1 ext | P16615 | None | 3W5A | None | Homo sapiens | Complex | X-ray | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 Magnesium | 15409 | 0.10 | Amber 20 | Amber FF19SB | Abigail Teitgen, University of California, San Diego | Report | |||
| View | 1303 | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | SERCA GaMD rep 1 | P16615 | None | 3W5A | None | Homo sapiens | Complex | X-ray | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 Magnesium | 15409 | 0.21 | Amber 20 | Amber FF19SB | Abigail Teitgen, University of California, San Diego | Report | |||
| View | 1304 | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | SERCA GaMD rep 3 | P16615 | None | 3W5A | None | Homo sapiens | Complex | X-ray | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 Magnesium | 15409 | 0.21 | Amber 20 | Amber FF19SB | Abigail Teitgen, University of California, San Diego | Report | |||
| View | 1305 | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | ATP-SERCA MD | P16615 | None | 3W5A | None | Homo sapiens | Complex | X-ray | Magnesium Sarcoplasmic/endoplasmic reticulum calcium atpase 2 Adenosine-5'-triphosphate | 15452 | 0.15 | Amber 20 | Amber FF19SB | Abigail Teitgen, University of California, San Diego | Report | |||
| View | 1306 | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | ATP-SERCA GaMD rep 1 | P16615 | None | 3W5A | None | Homo sapiens | Complex | X-ray | Magnesium Sarcoplasmic/endoplasmic reticulum calcium atpase 2 Adenosine-5'-triphosphate | 15452 | 0.11 | Amber 20 | Amber FF19SB | Abigail Teitgen, University of California, San Diego | Report | |||
| View | 1307 | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | ATP-SERCA GaMD rep 1 ext | P16615 | None | 3W5A | None | Homo sapiens | Complex | X-ray | Magnesium Sarcoplasmic/endoplasmic reticulum calcium atpase 2 Adenosine-5'-triphosphate | 15452 | 0.10 | Amber 20 | Amber FF19SB | Abigail Teitgen, University of California, San Diego | Report | |||
| View | 1308 | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | ATP-SERCA GaMD rep 2 | P16615 | None | 3W5A | None | Homo sapiens | Complex | X-ray | Magnesium Sarcoplasmic/endoplasmic reticulum calcium atpase 2 Adenosine-5'-triphosphate | 15452 | 0.21 | Amber 20 | Amber FF19SB | Abigail Teitgen, University of California, San Diego | Report | |||
| View | 1309 | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | ATP-SERCA GaMD rep 3 | P16615 | None | 3W5A | None | Homo sapiens | Complex | X-ray | Magnesium Sarcoplasmic/endoplasmic reticulum calcium atpase 2 Adenosine-5'-triphosphate | 15452 | 0.21 | Amber 20 | Amber FF19SB | Abigail Teitgen, University of California, San Diego | Report | |||
| View | 1310 | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | dATP-SERCA MD | P16615 | None | 3W5A | None | Homo sapiens | Complex | X-ray | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 Magnesium 2'-deoxyadenosine 5'-triphosphate | 15451 | 0.15 | Amber 20 | Amber FF19SB | Abigail Teitgen, University of California, San Diego | Report | |||
| View | 1311 | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | dATP-SERCA GaMD rep 1 | P16615 | None | 3W5A | None | Homo sapiens | Complex | X-ray | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 Magnesium 2'-deoxyadenosine 5'-triphosphate | 15451 | 0.11 | Amber 20 | Amber FF19SB | Abigail Teitgen, University of California, San Diego | Report | |||
| View | 1312 | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | dATP-SERCA GaMD rep 1 ext | P16615 | None | 3W5A | None | Homo sapiens | Complex | X-ray | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 Magnesium 2'-deoxyadenosine 5'-triphosphate | 15451 | 0.10 | Amber 20 | Amber FF19SB | Abigail Teitgen, University of California, San Diego | Report | |||
| View | 1314 | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | dATP-SERCA GaMD rep 3 | P16615 | None | 3W5A | None | Homo sapiens | Complex | X-ray | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 Magnesium 2'-deoxyadenosine 5'-triphosphate | 15451 | 0.21 | Amber 20 | Amber FF19SB | Abigail Teitgen, University of California, San Diego | Report | |||
| View | 1315 | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | SERCA MD | P16615 | None | 3W5A | None | Homo sapiens | Complex | X-ray | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 Magnesium | 15409 | 0.15 | Amber 20 | Amber FF19SB | Abigail Teitgen, University of California, San Diego | Report |
