Enhanced conformational space sampling improves the prediction of chemical shifts in proteins.
about
SHIFTX2: significantly improved protein chemical shift predictionSolution NMR refinement of a metal ion bound protein using metal ion inclusive restrained molecular dynamics methodsEnsemble-based interpretations of NMR structural data to describe protein internal dynamics.PPM_One: a static protein structure based chemical shift predictor.Molecular-level simulation of pandemic influenza glycoproteins.PPM: a side-chain and backbone chemical shift predictor for the assessment of protein conformational ensembles.Cyclophilin A catalyzes proline isomerization by an electrostatic handle mechanism.Toward Closing the Gap: Quantum Mechanical Calculations and Experimentally Measured Chemical Shifts of a Microcrystalline Lectin.Describing sequence-ensemble relationships for intrinsically disordered proteins.Accessing a hidden conformation of the maltose binding protein using accelerated molecular dynamicsMolecular dynamics simulations and drug discoveryStudying functional dynamics in bio-molecules using accelerated molecular dynamics.Using Selectively Applied Accelerated Molecular Dynamics to Enhance Free Energy Calculations.P.Arg82Leu von Hippel-Lindau (VHL) gene mutation among three members of a family with familial bilateral pheochromocytoma in India: molecular analysis and in silico characterization.On the Use of Accelerated Molecular Dynamics to Enhance Configurational Sampling in Ab Initio Simulations.Accelerating chemical reactions: exploring reactive free-energy surfaces using accelerated ab initio molecular dynamicsImplementation of Accelerated Molecular Dynamics in NAMDEnhanced Lipid Diffusion and Mixing in Accelerated Molecular Dynamics.Protecting High Energy Barriers: A New Equation to Regulate Boost Energy in Accelerated Molecular Dynamics Simulations.Resolving the complex role of enzyme conformational dynamics in catalytic function.Dynamics and calcium association to the N-terminal regulatory domain of human cardiac troponin C: a multiscale computational studyImproved chemical shift prediction by Rosetta conformational sampling.Assessing and refining molecular dynamics simulations of proteins with nuclear magnetic resonance data.Correlation of chemical shifts predicted by molecular dynamics simulations for partially disordered proteinsAccounting for receptor flexibility and enhanced sampling methods in computer-aided drug design.Biomolecularmodeling and simulation: a field coming of age.Conformational propensities of intrinsically disordered proteins from NMR chemical shifts.Enhanced molecular dynamics sampling of drug target conformations.Protein dynamics and function from solution state NMR spectroscopy.Non-active site mutations disturb the loop dynamics, dimerization, viral budding and egress of VP40 of the Ebola virus.State-of-the-art and dissemination of computational tools for drug-design purposes: a survey among Italian academics and industrial institutions.Conformational Dynamics of the Partially Disordered Yeast Transcription Factor GCN4Localization of Millisecond Dynamics: Dihedral Entropy from Accelerated MD.Interpreting protein structural dynamics from NMR chemical shifts.Adaptive Accelerated Molecular Dynamics (Ad-AMD) Revealing the Molecular Plasticity of P450cam.In silico profiling and structural insights of missense mutations in RET protein kinase domain by molecular dynamics and docking approach.Mapping protein conformational energy landscapes using NMR and molecular simulation.
P2860
Q24604571-CBE7BD21-D4F6-41E2-B903-883EE20823E4Q27677493-71668358-D49A-47FF-88A0-EDF3CF433076Q30353311-D63BD37A-8C14-4CD2-A084-CA20EBEC4D46Q30375879-410D4B30-0F27-4A02-A71A-85AD1536A7BDQ30410858-33A59ADE-B77C-4218-9EE6-3933674338D4Q30421203-69EBBAE1-B8A8-42AC-8C99-9623108ABF97Q30584408-2F097172-105F-442B-8844-4C0D8B02DFBAQ33780847-490BE8DB-009C-4F9C-84C8-B91381FA48C9Q33818465-AE29FEBE-AA9E-4E7A-BF34-D6A6F7F0C409Q33886144-A0B609F3-EF07-48CC-8345-2329363AB8A7Q34061019-BC430BBD-F4C7-41BC-B500-6406D56F6753Q34225993-D92D6352-4419-40A6-A8E3-543EBD180CCBQ34291803-D4A1FFCE-933F-446B-9247-B0D7FCD404D0Q34692517-6EF94982-8A02-416C-9304-B5829478743BQ34781928-D928BD89-CE5E-4DA6-BD94-822DC7FB18AAQ35013426-E34334C2-BA32-4C31-B430-7B91CE2E1127Q35047293-4857CA38-9BE2-4588-9BB9-A934D0A29EB3Q35324738-FD219BA0-7356-4E08-BFDA-CED1CFF2CCF1Q35661992-D3976749-4CBC-42DC-97CD-1800AC7813A4Q35889390-1A47C7EB-F00F-43B9-A861-3F387BD5C159Q36119273-5A6F570F-8993-4174-9271-126D89547F88Q36356953-03639C9C-6232-4501-94A2-032E1DBC9154Q36373046-ABF8F340-A10C-46A4-8362-67C45635DC48Q36471188-10EC31CA-2C88-4082-A707-EEC42E9FFB2FQ36520871-CAE44047-E088-496A-8067-27CACEE59C9FQ37827906-4A996525-DE66-42FA-909A-5E6A4DA652BFQ38116495-0EEF5230-60B0-4E63-99D3-5931EC06B014Q38583453-0636957C-F624-4257-AD9F-0F5B0C523428Q38810874-C05559BE-C944-476F-9F73-B371F90805FDQ38974306-56A19EB7-49B8-48FD-87E1-C684576990EEQ39417388-F9616EEE-9224-46AF-B42B-BD8D92692C8EQ41853245-F31BCB57-BDB7-4B21-A9BB-1E54475CED79Q42284639-9E41C6FB-C00C-4D35-8E4E-137E796F4051Q42549254-901246AE-10DA-47DB-8796-18BCE5CDDF15Q42590649-B94E1046-CDE7-4DD9-B666-F3845E789BAAQ44076075-0FC55E67-749E-4FE5-8CA6-0C6AAAAF0CF9Q50963890-3E8988F1-4BAF-4C7C-B954-10F8DD361E8A
P2860
Enhanced conformational space sampling improves the prediction of chemical shifts in proteins.
description
2010 nî lūn-bûn
@nan
2010年の論文
@ja
2010年論文
@yue
2010年論文
@zh-hant
2010年論文
@zh-hk
2010年論文
@zh-mo
2010年論文
@zh-tw
2010年论文
@wuu
2010年论文
@zh
2010年论文
@zh-cn
name
Enhanced conformational space ...... f chemical shifts in proteins.
@en
Enhanced conformational space ...... f chemical shifts in proteins.
@nl
type
label
Enhanced conformational space ...... f chemical shifts in proteins.
@en
Enhanced conformational space ...... f chemical shifts in proteins.
@nl
prefLabel
Enhanced conformational space ...... f chemical shifts in proteins.
@en
Enhanced conformational space ...... f chemical shifts in proteins.
@nl
P2093
P2860
P356
P1476
Enhanced conformational space ...... f chemical shifts in proteins.
@en
P2093
Barrett L Abel
Carla F Cervantes
Elizabeth A Komives
Martin Blackledge
Phineus R L Markwick
P2860
P304
P356
10.1021/JA9093692
P407
P577
2010-02-01T00:00:00Z