| 000 | 01316 a2200373 4500 | ||
|---|---|---|---|
| 005 | 20250517173945.0 | ||
| 264 | 0 | _c20171222 | |
| 008 | 201712s 0 0 eng d | ||
| 022 | _a1573-4951 | ||
| 024 | 7 |
_a10.1007/s10822-017-0068-8 _2doi |
|
| 040 |
_aNLM _beng _cNLM |
||
| 100 | 1 | _aKadukova, Maria | |
| 245 | 0 | 0 |
_aConvex-PL: a novel knowledge-based potential for protein-ligand interactions deduced from structural databases using convex optimization. _h[electronic resource] |
| 260 |
_bJournal of computer-aided molecular design _cOct 2017 |
||
| 300 |
_a943-958 p. _bdigital |
||
| 500 | _aPublication Type: Journal Article | ||
| 650 | 0 | 4 | _aAlgorithms |
| 650 | 0 | 4 | _aBinding Sites |
| 650 | 0 | 4 | _aDatabases, Protein |
| 650 | 0 | 4 | _aDrug Design |
| 650 | 0 | 4 | _aHumans |
| 650 | 0 | 4 | _aKnowledge Bases |
| 650 | 0 | 4 | _aLigands |
| 650 | 0 | 4 | _aMachine Learning |
| 650 | 0 | 4 | _aMolecular Docking Simulation |
| 650 | 0 | 4 | _aMolecular Structure |
| 650 | 0 | 4 | _aProtein Binding |
| 650 | 0 | 4 | _aProtein Conformation |
| 650 | 0 | 4 |
_aProteins _xchemistry |
| 650 | 0 | 4 | _aStructure-Activity Relationship |
| 700 | 1 | _aGrudinin, Sergei | |
| 773 | 0 |
_tJournal of computer-aided molecular design _gvol. 31 _gno. 10 _gp. 943-958 |
|
| 856 | 4 | 0 |
_uhttps://doi.org/10.1007/s10822-017-0068-8 _zAvailable from publisher's website |
| 999 |
_c27576033 _d27576033 |
||