Predicate |
Object |
contentType |
Journal Article|Research Support, N.I.H., Extramural|Research Support, Non-U.S. Gov't |
endingPage |
5692 |
issn |
1520-5207 1520-6106 |
issueIdentifier |
18 |
pageRange |
5680-5692 |
publicationName |
The journal of physical chemistry. B |
startingPage |
5680 |
hasFundingAgency |
http://rdf.ncbi.nlm.nih.gov/pubchem/organization/MD5_a1ebfe17b0713ecaf89801f0370c078d |
isSupportedBy |
http://rdf.ncbi.nlm.nih.gov/pubchem/grant/MD5_10ff28f6a57e33939bfc6d4e18edc078 http://rdf.ncbi.nlm.nih.gov/pubchem/grant/MD5_6888305319197674daa0d4fa98c12425 http://rdf.ncbi.nlm.nih.gov/pubchem/grant/MD5_99ee138fa0f157c5e76a24a706bd5643 |
bibliographicCitation |
Rosta E, Haranczyk M, Chu ZT, Warshel A. Accelerating QM/MM free energy calculations: representing the surroundings by an updated mean charge distribution. J Phys Chem B. 2008 May 08;112(18):5680–92. PMID: 18412414; PMCID: PMC2651397. |
creator |
http://rdf.ncbi.nlm.nih.gov/pubchem/author/ORCID_0000-0002-9823-4766 http://rdf.ncbi.nlm.nih.gov/pubchem/author/MD5_a8dcd4faa46803f7cef3c4f7ff2f8097 http://rdf.ncbi.nlm.nih.gov/pubchem/author/MD5_4d040604b6b122e4d7d9f76b03b17024 http://rdf.ncbi.nlm.nih.gov/pubchem/author/ORCID_0000-0001-7146-9568 http://rdf.ncbi.nlm.nih.gov/pubchem/author/MD5_daf560c66fc3f25982f197c3bb405cc5 http://rdf.ncbi.nlm.nih.gov/pubchem/author/MD5_acea4eab2144cd09fd9ca7cfeb46a6b6 |
date |
2008-04-16-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
identifier |
https://pubmed.ncbi.nlm.nih.gov/PMC2651397 https://doi.org/10.1021/jp711496y https://pubmed.ncbi.nlm.nih.gov/18412414 |
isPartOf |
https://portal.issn.org/resource/ISSN/1520-6106 http://rdf.ncbi.nlm.nih.gov/pubchem/journal/30073 https://portal.issn.org/resource/ISSN/1520-5207 |
language |
English |
source |
https://pubmed.ncbi.nlm.nih.gov/ https://www.crossref.org/ |
title |
Accelerating QM/MM Free Energy Calculations: Representing the Surroundings by an Updated Mean Charge Distribution |
discusses |
http://id.nlm.nih.gov/mesh/M0011678 http://id.nlm.nih.gov/mesh/M0022883 http://id.nlm.nih.gov/mesh/M0020141 |
hasPrimarySubjectTerm |
http://id.nlm.nih.gov/mesh/D011789 http://id.nlm.nih.gov/mesh/D008956 |
hasSubjectTerm |
http://id.nlm.nih.gov/mesh/D007477Q000737 http://id.nlm.nih.gov/mesh/D003198 http://id.nlm.nih.gov/mesh/D014867Q000737 http://id.nlm.nih.gov/mesh/D012997 |
discussesAsDerivedByTextMining |
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