| 000 | 01360 a2200361 4500 | ||
|---|---|---|---|
| 005 | 20250517094918.0 | ||
| 264 | 0 | _c20180102 | |
| 008 | 201801s 0 0 eng d | ||
| 022 | _a1463-9084 | ||
| 024 | 7 |
_a10.1039/c5cp05521k _2doi |
|
| 040 |
_aNLM _beng _cNLM |
||
| 100 | 1 | _aNerattini, Francesca | |
| 245 | 0 | 0 |
_aII. Dissociation free energies in drug-receptor systems via nonequilibrium alchemical simulations: application to the FK506-related immunophilin ligands. _h[electronic resource] |
| 260 |
_bPhysical chemistry chemical physics : PCCP _c06 2016 |
||
| 300 |
_a15005-18 p. _bdigital |
||
| 500 | _aPublication Type: Journal Article | ||
| 650 | 0 | 4 |
_aCalcineurin Inhibitors _xmetabolism |
| 650 | 0 | 4 | _aDrug Discovery |
| 650 | 0 | 4 | _aHumans |
| 650 | 0 | 4 |
_aImmunosuppressive Agents _xmetabolism |
| 650 | 0 | 4 | _aLigands |
| 650 | 0 | 4 | _aMolecular Dynamics Simulation |
| 650 | 0 | 4 | _aPoint Mutation |
| 650 | 0 | 4 | _aProtein Binding |
| 650 | 0 | 4 | _aProtein Conformation |
| 650 | 0 | 4 |
_aTacrolimus _xmetabolism |
| 650 | 0 | 4 |
_aTacrolimus Binding Protein 1A _xantagonists & inhibitors |
| 650 | 0 | 4 | _aThermodynamics |
| 700 | 1 | _aChelli, Riccardo | |
| 700 | 1 | _aProcacci, Piero | |
| 773 | 0 |
_tPhysical chemistry chemical physics : PCCP _gvol. 18 _gno. 22 _gp. 15005-18 |
|
| 856 | 4 | 0 |
_uhttps://doi.org/10.1039/c5cp05521k _zAvailable from publisher's website |
| 999 |
_c26032834 _d26032834 |
||