| 000 | 01257 a2200337 4500 | ||
|---|---|---|---|
| 005 | 20250517155810.0 | ||
| 264 | 0 | _c20180410 | |
| 008 | 201804s 0 0 eng d | ||
| 022 | _a1549-9626 | ||
| 024 | 7 |
_a10.1021/acs.jctc.7b00172 _2doi |
|
| 040 |
_aNLM _beng _cNLM |
||
| 100 | 1 | _aPan, Albert C | |
| 245 | 0 | 0 |
_aQuantitative Characterization of the Binding and Unbinding of Millimolar Drug Fragments with Molecular Dynamics Simulations. _h[electronic resource] |
| 260 |
_bJournal of chemical theory and computation _cJul 2017 |
||
| 300 |
_a3372-3377 p. _bdigital |
||
| 500 | _aPublication Type: Journal Article | ||
| 650 | 0 | 4 | _aBinding Sites |
| 650 | 0 | 4 | _aCrystallography, X-Ray |
| 650 | 0 | 4 | _aMolecular Dynamics Simulation |
| 650 | 0 | 4 |
_aPharmaceutical Preparations _xchemistry |
| 650 | 0 | 4 | _aProtein Binding |
| 650 | 0 | 4 |
_aSirolimus _xchemistry |
| 650 | 0 | 4 |
_aTacrolimus _xchemistry |
| 650 | 0 | 4 |
_aTacrolimus Binding Proteins _xchemistry |
| 650 | 0 | 4 | _aThermodynamics |
| 700 | 1 | _aXu, Huafeng | |
| 700 | 1 | _aPalpant, Timothy | |
| 700 | 1 | _aShaw, David E | |
| 773 | 0 |
_tJournal of chemical theory and computation _gvol. 13 _gno. 7 _gp. 3372-3377 |
|
| 856 | 4 | 0 |
_uhttps://doi.org/10.1021/acs.jctc.7b00172 _zAvailable from publisher's website |
| 999 |
_c27247132 _d27247132 |
||