About: Automated Event Detection and Activity Monitoring in Long Molecular Dynamics Simulations

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rdf:type	Item
description	article (en) wetenschappelijk artikel (nl) наукова стаття, опублікована в жовтні 2009 (uk) im Oktober 2009 veröffentlichter wissenschaftlicher Artikel (de)
publication date	wds:Q57976877-1336A68C-49F7-44C8-ACEF-5DCE9F49AE8C
publication date	2009-10-01 00:00:00Z (xsd:dateTime)
author name string	wds:Q57976877-2B518B4B-AD1C-4BD1-AAC2-467C5C8B7415 wds:Q57976877-66D5A317-73C8-472A-BFC7-AB10C545A27F wds:Q57976877-6C4B6B97-CC22-4FB8-9ADE-3EB317DEED6D wds:Q57976877-8DBD43E0-2CA6-4C7A-B16F-E252BCC33DDD wds:Q57976877-97B8DEB4-476B-4E1A-A5D5-FC3E38003000 wds:Q57976877-CB882A79-32F0-41B3-8FF9-D5613B3D0BB1 wds:Q57976877-D9D1AA9C-0EEC-40D3-9A7C-C5C0E7A6684F wds:Q57976877-E87A7E9A-2BD8-436E-8782-334EFC82AF0D
author name string	Stefano Piana David E Shaw Michael P Eastwood Yibing Shan Patrick J Miller Paul Maragakis Justin Gullingsrud Charles A Rendleman
rdfs:label	Automated Event Detection and Activity Monitoring in Long Molecular Dynamics Simulations (en) Automated Event Detection and Activity Monitoring in Long Molecular Dynamics Simulations (nl)
skos:prefLabel	Automated Event Detection and Activity Monitoring in Long Molecular Dynamics Simulations (en) Automated Event Detection and Activity Monitoring in Long Molecular Dynamics Simulations (nl)
name	Automated Event Detection and Activity Monitoring in Long Molecular Dynamics Simulations (en) Automated Event Detection and Activity Monitoring in Long Molecular Dynamics Simulations (nl)
author	wds:Q57976877-2B9F1F71-73F4-470F-A920-2918E10C8652 wds:Q57976877-59735AB7-9C24-4A55-A10D-3EDB1B6E55A7 wds:Q57976877-88FCC54A-6F36-4408-BCF9-F8F70A5B00F4 wds:Q57976877-EFCDA25A-BAD7-48A9-8885-E2EA6FAD3CFB
author	Kresten Lindorff-Larsen Ron Ofer Dror Kate A Stafford Willy Wriggers
title	wds:Q57976877-114E06D9-56D3-45E0-A70D-FCA521500E3A
title	Automated Event Detection and Activity Monitoring in Long Molecular Dynamics Simulations (en)
page(s)	wds:Q57976877-5E4E877F-DABD-4255-A2AB-8D87CC3397D5
page(s)	2595-2605
instance of	wds:Q57976877-9B999F88-EA37-41FA-819B-D5DF25FCEEFD
instance of	scholarly article
main subject	wds:Q57976877-C254463D-5973-47C2-B864-71FAEFF2C6A9
main subject	automation
PubMed ID	wds:Q57976877-3B839377-D54C-430E-8C9A-D2AEAE05A2FB
PubMed ID	http://rdf.ncbi.nlm.nih.gov/pubchem/reference/26631775
PubMed ID	26631775
published in	wds:Q57976877-53A343C6-B1C8-4C33-951D-0F5D6B4F885E
published in	Journal of Chemical Theory and Computation
issue	wds:Q57976877-7CF39F84-AC15-4A63-9988-267FE5E895FC
volume	wds:Q57976877-A8AB1A32-4B64-45AE-B48B-DDDCBF34F607
issue	10
volume	5
DOI	wds:Q57976877-94118057-A80E-4B17-B2D4-8C60AD4FFF5C
DOI	http://dx.doi.org/10.1021/CT900229U
DOI	10.1021/CT900229U
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q57976877
is cites work of	Conformational analysis of Clostridium difficile toxin B and its implications for substrate recognition A chemical group graph representation for efficient high-throughput analysis of atomistic protein simulations Mapping the structural and dynamical features of kinesin motor domains DNA-binding protects p53 from interactions with cofactors involved in transcription-independent functions Event detection and sub-state discovery from biomolecular simulations using higher-order statistics: application to enzyme adenylate kinase Disruption of intrinsic motions as a mechanism for enzyme inhibition Computational approaches to detect allosteric pathways in transmembrane molecular machines Hypothesis driven single nucleotide polymorphism search (HyDn-SNP-S). C(α) torsion angles as a flexible criterion to extract secrets from a molecular dynamics simulation Chokepoints in Mechanical Coupling Associated with Allosteric Proteins: The Pyruvate Kinase Example A comparison of multiscale methods for the analysis of molecular dynamics simulations Wavelet Analysis of Protein Motion Identifying localized changes in large systems: Change-point detection for biomolecular simulations Rational prediction with molecular dynamics for hit identification Computing Spatiotemporal Heat Maps of Lipid Electropore Formation: A Statistical Approach Spatial Heat Maps from Fast Information Matching of Fast and Slow Degrees of Freedom: Application to Molecular Dynamics Simulations Insights into Ligand-Protein Binding from Local Mechanical Response. Dissecting protein architecture with communication blocks and communicating segment pairs Detection of Side Chain Rearrangements Mediating the Motions of Transmembrane Helices in Molecular Dynamics Simulations of G Protein-Coupled Receptors PySFD: comprehensive molecular insights from significant feature differences detected among many simulated ensembles. Thyroxine binding to type III iodothyronine deiodinase
is cites work of	wds:Q27331744-FE5CE71C-ECB9-4EAB-BF38-3F0BA8ED9F2C wds:Q30419335-B1143D0E-AF25-462F-BE83-A15C9ABA3EDB wds:Q30392650-FCDB6450-4D9D-4248-A01E-DC661E6EC98B wds:Q39381227-A6EB9483-A760-4AA4-A3A7-CCFC399D643A wds:Q90211314-049488B2-F6F4-4513-B867-59A9AD80BCEC wds:Q36795631-1AF4A7B9-2438-4E10-86B4-40784DFCBAC8 wds:Q39774004-649D876C-08D6-463C-B419-D90CDB2B345F wds:Q36927686-7D254B91-2DCC-4B78-8E9F-7026657EB4F2 wds:Q30398112-7B85959A-EBCE-4ADC-9C74-3FFCA651761A wds:Q33601918-B1789691-CFBB-4A19-B1CB-87A7BCE7F711 wds:Q34632257-D6155E10-33CA-441F-9EF8-4E55C845E1D0 wds:Q35907927-FFDD557C-1C73-44B6-A569-EC200B1C017D wds:Q35764375-8999DE69-DC76-4695-BC41-54076D939D4C wds:Q36120749-6A0889E3-B000-4A02-B0DD-34F49DD549C9 wds:Q64931362-02340E7B-30F4-4129-BFC6-7E267F247AD7 wds:Q30531491-597F6679-89AE-4699-A217-C6E79F039337 wds:Q30351902-A9203A88-1974-4EF2-ADFD-5FCD587A156E wds:Q37288252-1BB8131A-3B58-4D50-A389-E2BE9961E766 wds:Q38684570-4049E56E-292C-46A4-9F3D-D53676C62831 wds:Q42654422-58E760F7-4707-45EB-A499-60F78CF1DD5D wds:Q99594721-06851C68-C7E3-4B9F-A08D-95441F43AF10

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