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. 2023. Multiscale Computational Modeling of the Effects of 2’-deoxy-ATP on Cardiac Muscle Calcium Handling. Journal of Applied Physics (134). doi: 10.1063/5.0157935.
| Receptor | Uniprot entry name | Uniprot ID | Family | Class | PDB ID | State | Species | Model type | Ligand(s) | Model name | Num. of atoms | Membrane composition | Accum. sim. time (µs) | Software | Force field | Submitted by | ||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| View | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | P16615 | None | 3W5A | None | Homo sapiens | Complex | Magnesium Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | SERCA GaMD rep 1 | 15409 | 0.21 | Amber 20 | Amber FF19SB | Abigail Teitgen, University of California, San Diego | Report | |||
| View | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | P16615 | None | 3W5A | None | Homo sapiens | Complex | Magnesium Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | SERCA GaMD rep 1 ext | 15409 | 0.10 | Amber 20 | Amber FF19SB | Abigail Teitgen, University of California, San Diego | Report | |||
| View | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | P16615 | None | 3W5A | None | Homo sapiens | Complex | Magnesium Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | SERCA GaMD rep 1 | 15409 | 0.21 | Amber 20 | Amber FF19SB | Abigail Teitgen, University of California, San Diego | Report | |||
| View | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | P16615 | None | 3W5A | None | Homo sapiens | Complex | Magnesium Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | SERCA GaMD rep 3 | 15409 | 0.21 | Amber 20 | Amber FF19SB | Abigail Teitgen, University of California, San Diego | Report | |||
| View | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | P16615 | None | 3W5A | None | Homo sapiens | Complex | Magnesium Adenosine-5'-triphosphate Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | ATP-SERCA MD | 15452 | 0.15 | Amber 20 | Amber FF19SB | Abigail Teitgen, University of California, San Diego | Report | |||
| View | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | P16615 | None | 3W5A | None | Homo sapiens | Complex | Magnesium Adenosine-5'-triphosphate Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | ATP-SERCA GaMD rep 1 | 15452 | 0.11 | Amber 20 | Amber FF19SB | Abigail Teitgen, University of California, San Diego | Report | |||
| View | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | P16615 | None | 3W5A | None | Homo sapiens | Complex | Magnesium Adenosine-5'-triphosphate Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | ATP-SERCA GaMD rep 1 ext | 15452 | 0.10 | Amber 20 | Amber FF19SB | Abigail Teitgen, University of California, San Diego | Report | |||
| View | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | P16615 | None | 3W5A | None | Homo sapiens | Complex | Magnesium Adenosine-5'-triphosphate Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | ATP-SERCA GaMD rep 2 | 15452 | 0.21 | Amber 20 | Amber FF19SB | Abigail Teitgen, University of California, San Diego | Report | |||
| View | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | P16615 | None | 3W5A | None | Homo sapiens | Complex | Magnesium Adenosine-5'-triphosphate Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | ATP-SERCA GaMD rep 3 | 15452 | 0.21 | Amber 20 | Amber FF19SB | Abigail Teitgen, University of California, San Diego | Report | |||
| View | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | P16615 | None | 3W5A | None | Homo sapiens | Complex | Magnesium 2'-deoxyadenosine 5'-triphosphate Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | dATP-SERCA MD | 15451 | 0.15 | Amber 20 | Amber FF19SB | Abigail Teitgen, University of California, San Diego | Report | |||
| View | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | P16615 | None | 3W5A | None | Homo sapiens | Complex | Magnesium 2'-deoxyadenosine 5'-triphosphate Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | dATP-SERCA GaMD rep 1 | 15451 | 0.11 | Amber 20 | Amber FF19SB | Abigail Teitgen, University of California, San Diego | Report | |||
| View | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | P16615 | None | 3W5A | None | Homo sapiens | Complex | Magnesium 2'-deoxyadenosine 5'-triphosphate Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | dATP-SERCA GaMD rep 1 ext | 15451 | 0.10 | Amber 20 | Amber FF19SB | Abigail Teitgen, University of California, San Diego | Report | |||
| View | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | P16615 | None | 3W5A | None | Homo sapiens | Complex | Magnesium 2'-deoxyadenosine 5'-triphosphate Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | dATP-SERCA GaMD rep 3 | 15451 | 0.21 | Amber 20 | Amber FF19SB | Abigail Teitgen, University of California, San Diego | Report | |||
| View | Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | P16615 | None | 3W5A | None | Homo sapiens | Complex | Magnesium Sarcoplasmic/endoplasmic reticulum calcium atpase 2 | SERCA MD | 15409 | 0.15 | Amber 20 | Amber FF19SB | Abigail Teitgen, University of California, San Diego | Report |
