Exploring the free-energy landscape of a short peptide using an average force.
about
The free energy landscape of small peptides as obtained from metadynamics with umbrella sampling correctionsIdentification of a new hormone-binding site on the surface of thyroid hormone receptorDiffusion of glycerol through Escherichia coli aquaglyceroporin GlpF.Recognition of the ring-opened state of proliferating cell nuclear antigen by replication factor C promotes eukaryotic clamp-loading.Free energetics of rigid body association of ubiquitin binding domains: a biochemical model for binding mediated by hydrophobic interaction.Smoothed Biasing Forces Yield Unbiased Free Energies with the Extended-System Adaptive Biasing Force Method.An alternative conformation of ERβ bound to estradiol reveals H12 in a stable antagonist positionSubstrate transport and anion permeation proceed through distinct pathways in glutamate transporters.Thermodynamics of Deca-alanine Folding in Water.Reconciling structural and thermodynamic predictions using all-atom and coarse-grain force fields: the case of charged oligo-arginine translocation into DMPC bilayersFree energetics of arginine permeation into model DMPC lipid bilayers: coupling of effective counterion concentration and lateral bilayer dimensionsThe effect of a G:T mispair on the dynamics of DNAMolecular dynamics and brownian dynamics investigation of ion permeation and anesthetic halothane effects on a proton-gated ion channelThe adaptive biasing force method: everything you always wanted to know but were afraid to askMolecular dynamics investigation of Cl- and water transport through a eukaryotic CLC transporter.Analysis and elimination of a bias in targeted molecular dynamics simulations of conformational transitions: application to calmodulin.Modulation of Re-initiation of Measles Virus Transcription at Intergenic Regions by PXD to NTAIL Binding Strength.Thermodynamic analysis of protegrin-1 insertion and permeation through a lipid bilayerConformational free-energy landscapes for a peptide in saline environmentsA simplified confinement method for calculating absolute free energies and free energy and entropy differences.Coupled global and local changes direct substrate translocation by neurotransmitter-sodium symporter ortholog LeuT.Finding transition pathways using the string method with swarms of trajectories.Exploration of effective potential landscapes using coarse reverse integration.Peptide backbone sampling convergence with the adaptive biasing force algorithmGeneral trends of dihedral conformational transitions in a globular protein.Reversal of ion-charge selectivity renders the pentameric ligand-gated ion channel GLIC insensitive to anaestheticsRigidity and flexibility in the tetrasaccharide linker of proteoglycans from atomic-resolution molecular simulation.Global transitions of proteins explored by a multiscale hybrid methodology: application to adenylate kinase.Base flip in DNA studied by molecular dynamics simulationsof differently-oxidized forms of methyl-CytosineSingle molecule compression reveals intra-protein forces drive cytotoxin pore formation.Force fluctuations in stretching a tethered polymer.Adaptive biasing force method for scalar and vector free energy calculations.Quantitative Assessment of the Energetics of Dopamine Translocation by Human Dopamine Transporter.Pore dilatation increases the bicarbonate permeability of CFTR, ANO1 and glycine receptor anion channels.Heterogeneities in Axonal Structure and Transporter Distribution Lower Dopamine Reuptake Efficiency.Effectively explore metastable states of proteins by adaptive nonequilibrium driving simulations.Transient-state fluctuationlike relation for the driving force on a biomolecule.Crooks equation for steered molecular dynamics using a Nosé-Hoover thermostat.Orthogonal sampling in free-energy calculations of residue mutations in a tripeptide: TI versus λ-LEUS.Accessing the free energy profile of a ring closure in a proline-catalyzed reaction using a reactive force field
P2860
Q24676323-595D239C-B5E6-4A86-85B7-843B44D6185EQ27689142-4710A569-5AB8-4D1A-82C3-0B4D8E08802CQ30481030-58006C50-2B3A-4630-B6F5-2FA3CE11668AQ30494687-A059E380-6D28-40C6-924E-9C9C15419217Q30733711-AE744BDB-3306-405C-AFF7-EC6A5B19E3A5Q33594338-E982264B-B298-4683-B489-C4852532A957Q33799630-43946939-1D6A-44F5-B5D4-5CCE61F93AB3Q33803749-38A5D1F9-BD53-48A5-85EB-06F8804A4F2AQ33893529-7207E1AA-1DC3-4E8D-A9A3-27262E451C28Q34351138-48C42ABB-D254-4ED8-B8AB-7348E30F95C5Q34447999-9CDA1C3F-9CF4-4D3B-8A78-88EAD51FBB07Q34555663-A12D6953-24B8-46E3-9307-039C65232327Q34763265-EB642DE2-9001-491E-95D9-AE3ED4078879Q35012592-A67B1258-0E0A-45B7-A4E5-BAF485AA28BDQ35843488-4A69D0C2-DEEC-4D72-919B-06E1C3F87BAEQ36120569-48F9663C-A2F2-4D66-AF0B-8019384DC73BQ36218409-22F4FBA8-5C52-48ED-9FED-13AD7DE11FC2Q36290423-9285E408-413C-491E-B389-2E019A436CCFQ36476698-308F23F6-EDF6-4B73-AE7A-0053C14F25B8Q36601750-6E38AA17-107E-440C-83FE-14EBBB5A2476Q37078300-B138F47F-EB7F-4C24-B70A-7542343950B9Q37375604-1F20767C-FA60-46D0-82CC-B94BB593EF93Q37397660-A4EBB4A0-923C-41C3-8097-D84092F398B0Q37633186-64CC2742-8ABD-449F-A285-DB5367F9BC6DQ37656141-F9A21D19-363D-434B-9737-20A2D5651E32Q37712545-A9EE0662-1187-41CB-A695-F8421BAAA825Q39013150-F8161AA1-C4D3-4381-AC3F-66099C1ACB79Q42066183-99A8DD8B-A17E-4190-A20B-17DFDA8CD489Q42086540-86AEE4DF-CA85-413A-865E-7B8D17B23858Q42684620-7216CBB0-AB4A-4B28-A197-BA5B90239C07Q46442218-008FAF48-FFBF-4E37-9179-00187E1F8015Q46830946-47AE0968-81D6-4980-A903-46FF07E0F93EQ47302876-1BAC81D3-CC4A-4CAE-9E30-2EDE7D64AAABQ47569101-479508A2-D116-45D0-9FC7-4B5D2B8B2D58Q50072495-E6885A8A-6A81-4A7E-9865-24C3CBE9300BQ50723155-305C4505-A061-4404-A5A7-7F91BFCA0A67Q51431154-689C9EAC-6472-4476-BC35-F90F9C2481C0Q51929253-69B08206-C990-4F58-AC22-2A736C2D068AQ53435617-C1282ABE-8B10-47DC-B542-BEF110678D20Q57770510-2E8ABF8D-5F7D-429A-8E4D-204273AF8530
P2860
Exploring the free-energy landscape of a short peptide using an average force.
description
2005 nî lūn-bûn
@nan
2005年の論文
@ja
2005年学术文章
@wuu
2005年学术文章
@zh
2005年学术文章
@zh-cn
2005年学术文章
@zh-hans
2005年学术文章
@zh-my
2005年学术文章
@zh-sg
2005年學術文章
@yue
2005年學術文章
@zh-hant
name
Exploring the free-energy landscape of a short peptide using an average force.
@en
Exploring the free-energy landscape of a short peptide using an average force.
@nl
type
label
Exploring the free-energy landscape of a short peptide using an average force.
@en
Exploring the free-energy landscape of a short peptide using an average force.
@nl
prefLabel
Exploring the free-energy landscape of a short peptide using an average force.
@en
Exploring the free-energy landscape of a short peptide using an average force.
@nl
P2860
P356
P1476
Exploring the free-energy landscape of a short peptide using an average force.
@en
P2093
Christophe Chipot
P2860
P304
P356
10.1063/1.2138694
P407
P50
P577
2005-12-01T00:00:00Z