| Predicate |
Object |
| contentType |
Journal Article |
| endingPage |
843 |
| issn |
0920-654X
1573-4951 |
| issueIdentifier |
12 |
| pageRange |
837-843 |
| publicationName |
Journal of Computer-Aided Molecular Design |
| startingPage |
837 |
| bibliographicCitation |
Reddy MR, Erion MD. Relative solvation free energies calculated using an ab initio QM/MM-based free energy perturbation method: dependence of results on simulation length. Journal of Computer-Aided Molecular Design. 2009 Sep 17;23(12):837. doi: 10.1007/s10822-009-9300-5. |
| creator |
http://rdf.ncbi.nlm.nih.gov/pubchem/author/MD5_af60b8bd87b4affe2d2e1aa6283b3450
http://rdf.ncbi.nlm.nih.gov/pubchem/author/MD5_b716e37f51a9081f9483014ad0a8c4ca |
| date |
2009-09-17-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| identifier |
https://pubmed.ncbi.nlm.nih.gov/19760106
https://doi.org/10.1007/s10822-009-9300-5 |
| isPartOf |
https://portal.issn.org/resource/ISSN/0920-654X
http://rdf.ncbi.nlm.nih.gov/pubchem/journal/5015
https://portal.issn.org/resource/ISSN/1573-4951 |
| language |
English |
| source |
https://pubmed.ncbi.nlm.nih.gov/
https://www.crossref.org/
https://scigraph.springernature.com/ |
| title |
Relative solvation free energies calculated using an ab initio QM/MM-based free energy perturbation method: dependence of results on simulation length |
| discusses |
http://id.nlm.nih.gov/mesh/M0000655
http://id.nlm.nih.gov/mesh/M0002332
http://id.nlm.nih.gov/mesh/M0021922
http://id.nlm.nih.gov/mesh/M0082939
http://id.nlm.nih.gov/mesh/M0000113
http://id.nlm.nih.gov/mesh/M0029379
http://id.nlm.nih.gov/mesh/M0011766
http://id.nlm.nih.gov/mesh/M0016544
http://id.nlm.nih.gov/mesh/M0000142
http://id.nlm.nih.gov/mesh/M0096876
http://id.nlm.nih.gov/mesh/M0007820 |
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http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID180
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http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID996 |