Impact of domain knowledge on blinded predictions of binding energies by alchemical free energy calculations.
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| Title: | Impact of domain knowledge on blinded predictions of binding energies by alchemical free energy calculations. |
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| Authors: | Mey ASJS; EaStCHEM School of Chemistry, University of Edinburgh, David Brewster Road, Edinburgh, EH9 3FJ, UK., Jiménez JJ; EaStCHEM School of Chemistry, University of Edinburgh, David Brewster Road, Edinburgh, EH9 3FJ, UK., Michel J; EaStCHEM School of Chemistry, University of Edinburgh, David Brewster Road, Edinburgh, EH9 3FJ, UK. mail@julienmichel.net. |
| Source: | Journal of computer-aided molecular design [J Comput Aided Mol Des] 2018 Jan; Vol. 32 (1), pp. 199-210. Date of Electronic Publication: 2017 Nov 13. |
| Publication Type: | Journal Article; Research Support, Non-U.S. Gov't |
| Journal Info: | Publisher: Springer Country of Publication: Netherlands NLM ID: 8710425 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1573-4951 (Electronic) Linking ISSN: 0920654X NLM ISO Abbreviation: J Comput Aided Mol Des Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
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| ISSN: | 1573-4951 |
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| DOI: | 10.1007/s10822-017-0083-9 |
