| 000 | 00992 a2200289 4500 | ||
|---|---|---|---|
| 005 | 20250517195135.0 | ||
| 264 | 0 | _c20190124 | |
| 008 | 201901s 0 0 eng d | ||
| 022 | _a1549-960X | ||
| 024 | 7 |
_a10.1021/acs.jcim.7b00537 _2doi |
|
| 040 |
_aNLM _beng _cNLM |
||
| 100 | 1 | _aYu, Haoyu S | |
| 245 | 0 | 0 |
_aWeighted Averaging Scheme and Local Atomic Descriptor for pK _h[electronic resource] |
| 260 |
_bJournal of chemical information and modeling _c02 2018 |
||
| 300 |
_a271-286 p. _bdigital |
||
| 500 | _aPublication Type: Journal Article | ||
| 650 | 0 | 4 | _aDensity Functional Theory |
| 650 | 0 | 4 | _aModels, Chemical |
| 650 | 0 | 4 | _aMolecular Structure |
| 650 | 0 | 4 | _aProtons |
| 650 | 0 | 4 | _aThermodynamics |
| 650 | 0 | 4 | _aWorkflow |
| 700 | 1 | _aWatson, Mark A | |
| 700 | 1 | _aBochevarov, Art D | |
| 773 | 0 |
_tJournal of chemical information and modeling _gvol. 58 _gno. 2 _gp. 271-286 |
|
| 856 | 4 | 0 |
_uhttps://doi.org/10.1021/acs.jcim.7b00537 _zAvailable from publisher's website |
| 999 |
_c28001918 _d28001918 |
||