Convergence and reproducibility in molecular dynamics simulations of the DNA duplex d(GCACGAACGAACGAACGC)
about
Assessing the Current State of Amber Force Field Modifications for DNAThe intrinsic mechanics of B-DNA in solution characterized by NMRMolecular Mechanism of Binding between 17β-Estradiol and DNA.Simulations Meet Experiment to Reveal New Insights into DNA Intrinsic Mechanics.Coupling between Histone Conformations and DNA Geometry in Nucleosomes on a Microsecond Timescale: Atomistic Insights into Nucleosome FunctionsMolecular Mechanisms of Glutamine Synthetase Mutations that Lead to Clinically Relevant Pathologies.Highly sampled tetranucleotide and tetraloop motifs enable evaluation of common RNA force fields.Efficient gaussian density formulation of volume and surface areas of macromolecules on graphical processing units.Sequence dependency of canonical base pair opening in the DNA double helix.Ligand-mediated and tertiary interactions cooperatively stabilize the P1 region in the guanine-sensing riboswitch.Refinement of Generalized Born Implicit Solvation Parameters for Nucleic Acids and Their Complexes with Proteins.Saturation of recognition elements blocks evolution of new tRNA identities.Transitions of Double-Stranded DNA Between the A- and B-Forms.Deficiencies in Molecular Dynamics Simulation-Based Prediction of Protein-DNA Binding Free Energy Landscapes.Structural intermediates and directionality of the swiveling motion of Pyruvate Phosphate Dikinase.Simulation of Electronic Circular Dichroism of Nucleic Acids: From the Structure to the Spectrum.On the mechanical analogue of DNA.Structural and Dynamical Insight into PPARγ Antagonism: In Silico Study of the Ligand-Receptor Interactions of Non-Covalent Antagonists.Activation helix orientation of the estrogen receptor is mediated by receptor dimerization: evidence from molecular dynamics simulations.Kinetic and structural changes in HsmtPheRS, induced by pathogenic mutations in human FARS2.Long-timescale dynamics of the Drew-Dickerson dodecamer.Mechanism of mRNA-STAR domain interaction: Molecular dynamics simulations of Mammalian Quaking STAR protein.Intercalation processes of copper complexes in DNA.Energetics of base flipping at a DNA mismatch site confined at the latch constriction of α-hemolysin.Computational DNA binding studies of (-)-epigallocatechin-3-gallate.The human platelet antigen-1b variant of αIIbβ3 allosterically shifts the dynamic conformational equilibrium of this integrin toward the active state.Adaptive resolution simulation of oligonucleotides.Structural and dynamical instability of DNA caused by high occurrence of d5SICS and dNaM unnatural nucleotides.PPARγ helix 12 exhibits an antagonist conformation.PPARγ non-covalent antagonists exhibit mutable binding modes with a similar free energy of binding: a case study.On the contributing role of the transmembrane domain for subunit-specific sensitivity of integrin activation.The transient manifold structure of the p53 extreme C-terminal domain: insight into disorder, recognition, and binding promiscuity by molecular dynamics simulations.Design and characterization of symmetric nucleic acids via molecular dynamics simulations.Molecular Modeling Applied to Nucleic Acid-Based Molecule Development
P2860
Q27301352-D6F51701-A9D9-413B-A927-FA5BE5483072Q28834499-51BB9179-13C9-4BDE-BBB0-16CD5FF78727Q30833374-DDA24767-DAB8-47B6-BD90-E6AA6BB48F2EQ35866373-F4989B06-898A-4194-8C72-C5A715561992Q35877421-37556A23-011B-4781-A268-BEB2C7BAF6E8Q35912029-E0FAC151-CCD4-4ECA-B003-D4B595808A57Q35952775-727BDC7F-7481-4B2C-A5BE-536B9A1060BDQ36270607-ED2D762C-5A3A-47A7-94BF-6CFE7C9138A5Q36331982-7ADE0C4C-2068-4D33-8018-B959E6E7DD00Q36412449-21313AD3-E7FC-49C3-9827-B67B464BDB69Q36722284-FEC1B61E-E6B5-4F67-8701-D642678079DCQ37056286-497B340C-5D80-4425-90BF-77FB85186679Q37608091-46934B74-E43A-4410-A1B3-A57CD79E0473Q38687819-A9231F6D-1B52-460A-8066-70A588ABFD36Q38867622-48978D9C-72FA-4591-AB51-5DFB2E3FD0B1Q39325321-7B64358A-22AD-464E-A218-E94CA34051D8Q40401142-7F0E0F23-1687-4B32-B51F-B567C22E5562Q40726727-B38A4082-1374-4A67-8E55-5AD71F759141Q40993997-2479CDD4-CC30-4C51-8112-C618E211CE9AQ41088644-F6D29E0A-0D7B-4EBB-9D68-AE6C8AD3354FQ41931128-54CE2B97-09FF-459D-AF1A-627111B1E524Q42142586-4F1830B6-7CA1-49DB-953B-4EFD19F364E6Q42210092-DD740188-3CAC-448E-A442-09C8473D8D89Q47164833-7A1F7093-892C-46C2-BFDB-827DD277CEC4Q48145457-7FA284C8-BCC4-4FBE-9389-2F2E654B6B42Q49806464-6AF18127-138D-4655-B95E-AC410161B9C3Q50532246-DE326631-3140-41F3-8C2D-6A8442A031A0Q50738376-1991521F-86DC-4FAB-A924-6EF5EA86118CQ51445412-CD5012A8-AACB-4CBE-BDC1-E32849F0753EQ51526335-F757959A-4923-4D26-80BA-7F7CE44A4D40Q52325843-2CAF6A73-33F9-4564-A460-FD6F26F1C31DQ52614614-CB5E53E2-A418-4E64-AF37-38BB086D6A64Q53674619-875DAAF6-4BD6-4159-BD45-F43F3565920BQ58700124-1E3D9244-8D53-4347-B5BC-A7CAF859D344
P2860
Convergence and reproducibility in molecular dynamics simulations of the DNA duplex d(GCACGAACGAACGAACGC)
description
2015 nî lūn-bûn
@nan
2015 թուականի Մայիսին հրատարակուած գիտական յօդուած
@hyw
2015 թվականի մայիսին հրատարակված գիտական հոդված
@hy
2015年の論文
@ja
2015年論文
@yue
2015年論文
@zh-hant
2015年論文
@zh-hk
2015年論文
@zh-mo
2015年論文
@zh-tw
2015年论文
@wuu
name
Convergence and reproducibilit ...... A duplex d(GCACGAACGAACGAACGC)
@ast
Convergence and reproducibilit ...... A duplex d(GCACGAACGAACGAACGC)
@en
Convergence and reproducibilit ...... A duplex d(GCACGAACGAACGAACGC)
@nl
type
label
Convergence and reproducibilit ...... A duplex d(GCACGAACGAACGAACGC)
@ast
Convergence and reproducibilit ...... A duplex d(GCACGAACGAACGAACGC)
@en
Convergence and reproducibilit ...... A duplex d(GCACGAACGAACGAACGC)
@nl
prefLabel
Convergence and reproducibilit ...... A duplex d(GCACGAACGAACGAACGC)
@ast
Convergence and reproducibilit ...... A duplex d(GCACGAACGAACGAACGC)
@en
Convergence and reproducibilit ...... A duplex d(GCACGAACGAACGAACGC)
@nl
P2860
P3181
P1476
Convergence and reproducibilit ...... A duplex d(GCACGAACGAACGAACGC)
@en
P2093
Daniel R Roe
Rodrigo Galindo-Murillo
P2860
P304
P3181
P356
10.1016/J.BBAGEN.2014.09.007
P407
P577
2015-05-01T00:00:00Z