| scholarly article | Q13442814 |
| P50 | author | Lori A Burns | Q39750123 |
| Zheng Zheng | Q40277470 | ||
| David Sherrill | Q56442166 | ||
| John C Faver | Q58369051 | ||
| Daniel G A Smith | Q88713697 | ||
| P2093 | author name string | Kenneth M Merz | |
| Alexander D MacKerell | |||
| Michael S Marshall | |||
| Kenno Vanommeslaeghe | |||
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| P433 | issue | 16 | |
| P407 | language of work or name | English | Q1860 |
| P921 | main subject | open data | Q309901 |
| computational chemistry | Q369472 | ||
| P304 | page(s) | 161727 | |
| P577 | publication date | 2017-10-01 | |
| P1433 | published in | Journal of Chemical Physics | Q900472 |
| P1476 | title | The BioFragment Database (BFDb): An open-data platform for computational chemistry analysis of noncovalent interactions | |
| P478 | volume | 147 |
| Q89703160 | Electron density learning of non-covalent systems |
| Q89540527 | How accurate are approximate quantum chemical methods at modelling solute-solvent interactions in solvated clusters? |
| Q61445559 | PEPCONF, a diverse data set of peptide conformational energies |
| Q47667911 | Preface: Special Topic: From Quantum Mechanics to Force Fields |
| Q94945792 | Psi4 1.4: Open-source software for high-throughput quantum chemistry |
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