Evaluating the effects of cutoffs and treatment of long-range electrostatics in protein folding simulations
about
Structure of the catalytic domain of protein tyrosine phosphatase sigma in the sulfenic acid formAccuracy Test of the OPLS-AA Force Field for Calculating Free Energies of Mixing and Comparison with PAC-MAC.Force Field for Peptides and Proteins based on the Classical Drude OscillatorFast protein folding kineticsProtein dynamics via computational microscope.Effects of system net charge and electrostatic truncation on all-atom constant pH molecular dynamics.Assessing the potential of atomistic molecular dynamics simulations to probe reversible protein-protein recognition and binding.Toward the correction of effective electrostatic forces in explicit-solvent molecular dynamics simulations: restraints on solvent-generated electrostatic potential and solvent polarization.Interaction Networks in Protein Folding via Atomic-Resolution Experiments and Long-Time-Scale Molecular Dynamics SimulationsAtomic-level description of ubiquitin folding.Immobilization of the N-terminal helix stabilizes prefusion paramyxovirus fusion proteins.Classical electrostatics for biomolecular simulations.Does a more precise chemical description of protein-ligand complexes lead to more accurate prediction of binding affinity?New ways to boost molecular dynamics simulations.Error assessment in molecular dynamics trajectories using computed NMR chemical shifts.Functional assays for the assessment of the pathogenicity of variants of GOSR2, an ER-to-Golgi SNARE involved in progressive myoclonus epilepsies.Evaluating amber force fields using computed NMR chemical shifts.Comparison of the accuracy of periodic reaction field methods in molecular dynamics simulations of a model liquid crystal system.Design of a reaction field using a linear-combination-based isotropic periodic sum method.How structural elements evolving from bacterial to human SLC6 transporters enabled new functional properties.A fast and accurate computational method for the linear-combination-based isotropic periodic sum
P2860
Q27678886-79C70204-D978-42C2-88EE-2A016C5068CCQ30356589-91D054C8-92FD-4054-8238-BEB68F130086Q30358273-B149DB5B-0269-43C1-9F96-ADAEF98054D4Q33719314-F4BAA98C-B507-431B-859D-A6EF6B49AFF0Q34093006-885E3377-9810-46A3-9AFF-646A94F6C85CQ34195265-45716551-36A6-4574-BA02-1D6EBED22F2DQ35663714-9B5AFBEF-038D-49D2-8D4C-106658C8ABDEQ35751567-4DD06E17-53C4-4793-A8D2-5C950F8162DEQ36288790-41C4B83F-F352-4330-84E7-D753EBF9B09AQ36762717-47E57AE2-732A-42B7-9846-1CF5D9CCB260Q37086697-6D9C4994-16B8-4E14-BF57-BDFB662F7DF6Q37626128-CD4BFAB4-1906-46E6-A75B-53E3E3175526Q38526679-7DF2DB14-407A-4554-B407-4F12923006F5Q41138702-75705177-42F8-4E3F-BD99-2720A0D3A3A4Q47120514-CE755BD1-B5F8-4E86-A95A-59831CF3D713Q47855834-AF1662B1-3F59-4175-8E77-6D48A51821E5Q48058205-AF20E918-053A-4A43-B61E-CFC6D21F2C60Q51662402-011BA15D-894B-40F3-BEC2-4BFAFE934B4EQ53601873-454E58FF-584F-479C-A0EA-639583CD4D94Q55238977-AAEFA94C-B35D-4411-961A-37A08EDD3924Q58795948-4BAD2111-C1AF-40F5-9057-182670A861FA
P2860
Evaluating the effects of cutoffs and treatment of long-range electrostatics in protein folding simulations
description
2012 nî lūn-bûn
@nan
2012 թուականին հրատարակուած գիտական յօդուած
@hyw
2012 թվականին հրատարակված գիտական հոդված
@hy
2012年の論文
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2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
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name
Evaluating the effects of cuto ...... in protein folding simulations
@ast
Evaluating the effects of cuto ...... in protein folding simulations
@en
Evaluating the effects of cuto ...... in protein folding simulations
@en-gb
Evaluating the effects of cuto ...... in protein folding simulations
@nl
type
label
Evaluating the effects of cuto ...... in protein folding simulations
@ast
Evaluating the effects of cuto ...... in protein folding simulations
@en
Evaluating the effects of cuto ...... in protein folding simulations
@en-gb
Evaluating the effects of cuto ...... in protein folding simulations
@nl
prefLabel
Evaluating the effects of cuto ...... in protein folding simulations
@ast
Evaluating the effects of cuto ...... in protein folding simulations
@en
Evaluating the effects of cuto ...... in protein folding simulations
@en-gb
Evaluating the effects of cuto ...... in protein folding simulations
@nl
P2093
P2860
P1433
P1476
Evaluating the effects of cuto ...... in protein folding simulations
@en
P2093
David E Shaw
John K Salmon
Robert M Dirks
Ron O Dror
Stefano Piana
P2860
P304
P356
10.1371/JOURNAL.PONE.0039918
P407
P577
2012-01-01T00:00:00Z