About: Electrostatic embedding in large-scale first principles quantum mechanical calculations on biomolecules

Facets (new session)
Description
Metadata
Settings
- owl:sameAs
- Inference Rule:

About: Electrostatic embedding in large-scale first principles quantum mechanical calculations on biomolecules Goto Sponge NotDistinct Permalink

An Entity of Type : wikibase:Item, within Data Space : wikidata.demo.openlinksw.com associated with source document(s)

scientific article published on 01 December 2011

Attributes	Values
rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована в грудні 2011 (uk) artículu científicu espublizáu n'avientu de 2011 (ast) scientific article published on 01 December 2011 (en)
publication date	wds:Q82950860-CF7A6D4F-0EE6-44B8-880C-546A5EB0B664
publication date	2011-12-01 00:00:00Z (xsd:dateTime)
author name string	wds:Q82950860-5096462B-6D95-417C-BF59-0AE207A38A67 wds:Q82950860-64133D4E-7561-490F-ABB3-7F33D732EB9D wds:Q82950860-905C1EDF-4C7C-416D-BDCB-06E877D01623 wds:Q82950860-B29794BB-21E6-411F-97DE-CA93906CD795 wds:Q82950860-D40CC52A-D1AE-41D9-B8FB-888D2A88E709
author name string	Chris-Kriton Skylaris Stephen J Fox Thomas Fox Chris Pittock Noj Malcolm
rdfs:label	Electrostatic embedding in large-scale first principles quantum mechanical calculations on biomolecules (en) Electrostatic embedding in large-scale first principles quantum mechanical calculations on biomolecules (nl)
skos:prefLabel	Electrostatic embedding in large-scale first principles quantum mechanical calculations on biomolecules (en) Electrostatic embedding in large-scale first principles quantum mechanical calculations on biomolecules (nl)
name	Electrostatic embedding in large-scale first principles quantum mechanical calculations on biomolecules (en) Electrostatic embedding in large-scale first principles quantum mechanical calculations on biomolecules (nl)
author	wds:Q82950860-C9FD0FA3-03B0-4EBF-9A0A-87197215F1DD
author	Christofer S. Tautermann
title	wds:Q82950860-9042301A-BD6C-4F3A-A6B4-52BCCA639336
title	Electrostatic embedding in large-scale first principles quantum mechanical calculations on biomolecules (en)
page(s)	wds:Q82950860-E51D1B28-5AB4-4C18-AE00-2E1C97B3B7F5
page(s)	224107
instance of	wds:Q82950860-DB7315E4-CB21-4195-A08D-2D5730E7797F
instance of	scholarly article
PubMed ID	wds:Q82950860-A79617BE-A7B2-4AC9-B015-5A0D2F45E131
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/22168680
PubMed ID	22168680
published in	wds:Q82950860-62A56A67-8F32-4ACB-9BC5-89C15DA97C77
published in	Journal of Chemical Physics
issue	wds:Q82950860-42291593-C453-4C00-98C1-C5E3D0F08E7D
volume	wds:Q82950860-3BC3747A-98B0-410B-98D0-5563AD447C66
issue	22
volume	135
DOI	wds:Q82950860-ACD727D0-E126-4E25-BD5F-AA536B48A9FF
DOI	http://dx.doi.org/10.1063/1.3665893
DOI	10.1063/1.3665893
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q82950860
is cites work of	Electronic Absorption Spectra from MM and ab initio QM/MM Molecular Dynamics: Environmental Effects on the Absorption Spectrum of Photoactive Yellow Protein Parametrization of an Orbital-Based Linear-Scaling Quantum Force Field for Noncovalent Interactions Recent Progress in Treating Protein-Ligand Interactions with Quantum-Mechanical Methods How Large Should the QM Region Be in QM/MM Calculations? The Case of Catechol O-Methyltransferase Computational Understanding of the Selectivities in Metalloenzymes Revealing quantum mechanical effects in enzyme catalysis with large-scale electronic structure simulation First-Principles Simulation of Raman Spectra of Adsorbates on Metal Surfaces Large-scale QM/MM free energy simulations of enzyme catalysis reveal the influence of charge transfer
is cites work of	wds:Q36661655-83E39A79-AA0A-480F-8E1B-2D332F0F5272 wds:Q28821486-6BDE3197-E6F8-43CD-9079-0AF7070C0C5E wds:Q26747700-1EBC02D2-84BC-45AF-AB46-1BEBBA2CEEDC wds:Q37701693-AFC4916A-B81D-4D38-A408-DDE8E15CDB05 wds:Q92799913-FCF01823-1220-48DC-851A-2C61BCAD6DB2 wds:Q90402896-C421BEFE-1040-412D-ABDA-657B3CFDA46C wds:Q60938242-720B58B1-9529-4CE5-844E-3F430BD2A5E2 wds:Q90609282-8CFC0DE3-4B2E-435B-AEEA-57458CABB593

Faceted Search & Find service v1.16.117 as of May 05 2024

Alternative Linked Data Documents: ODE Content Formats:

RDF

ODATA

Microdata

About

OpenLink Virtuoso version 07.20.3239 as of May 5 2024, on Linux (x86_64-centos_6-linux-gnu), Single-Server Edition (378 GB total memory, 172 GB memory in use)
Data on this page belongs to its respective rights holders.
Virtuoso Faceted Browser Copyright © 2009-2024 OpenLink Software