From: re-TAMD: exploring interactions between H3 peptide and YEATS domain using enhanced sampling
Name | Duration | Type/number | Number of waters | Number of atoms | Solute |
---|---|---|---|---|---|
(ns) | of counterions | ||||
MDYpt13 | 100 | Cl-/8 | 10261 | 33331 | YEATS/pt13 |
MDYpt7 | 100 | Cl-/6 | 11615 | 37309 | YEATS/pt7 |
MDYpt3 | 100 | Cl-/6 | 11636 | 37319 | YEATS/pt3 |
MDYapo | 100 | Cl-/5 | 10166 | 32838 | YEATS |
MDpt13 | 100 | CL-/3 | 2949 | 9055 | pt13 |
MDpt7 | 100 | Cl-/1 | 2208 | 6748 | pt7 |
MDpt3 | 100 | Cl-/1 | 1751 | 5324 | pt3 |
TAMDYpt13 | 100 | Cl-/8 | 10261 | 33331 | YEATS/pt13 |
TAMDYpt7 | 100 | Cl-/6 | 11615 | 37309 | YEATS/pt7 |
TAMDYpt3 | 100 | Cl-/6 | 11636 | 37319 | YEATS/pt3 |