Published in Curr Opin Struct Biol on March 01, 2011
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Free energy landscapes for initiation and branching of protein aggregation. Proc Natl Acad Sci U S A (2013) 0.94
Disordered binding of small molecules to Aβ(12-28). J Biol Chem (2011) 0.90
Spontaneous formation of twisted Aβ(16-22) fibrils in large-scale molecular-dynamics simulations. Biophys J (2011) 0.90
Virtual Screening for Dipeptide Aggregation: Toward Predictive Tools for Peptide Self-Assembly. J Phys Chem Lett (2011) 0.88
Gay-Berne and electrostatic multipole based coarse-grain potential in implicit solvent. J Chem Phys (2011) 0.88
Discrete molecular dynamics study of oligomer formation by N-terminally truncated amyloid β-protein. J Mol Biol (2013) 0.86
A simulated intermediate state for folding and aggregation provides insights into ΔN6 β2-microglobulin amyloidogenic behavior. PLoS Comput Biol (2014) 0.83
Consequences of glycan truncation on Fc structural integrity. MAbs (2014) 0.83
Crucial role of nonspecific interactions in amyloid nucleation. Proc Natl Acad Sci U S A (2014) 0.82
Fibrillization propensity for short designed hexapeptides predicted by computer simulation. J Mol Biol (2011) 0.82
Knotted proteins: A tangled tale of Structural Biology. Comput Struct Biotechnol J (2015) 0.81
Protein Polymerization into Fibrils from the Viewpoint of Nucleation Theory. Biophys J (2015) 0.81
Effects of macromolecular crowding on amyloid beta (16-22) aggregation using coarse-grained simulations. J Phys Chem B (2014) 0.81
Refining the treatment of membrane proteins by coarse-grained models. Proteins (2015) 0.79
SAHBNET, an accessible surface-based elastic network: an application to membrane protein. Int J Mol Sci (2013) 0.78
Influence of temperature on formation of perfect tau fragment fibrils using PRIME20/DMD simulations. Protein Sci (2012) 0.78
Studying interactions by molecular dynamics simulations at high concentration. J Biomed Biotechnol (2012) 0.76
Computational approaches to understanding protein aggregation in neurodegeneration. J Mol Cell Biol (2014) 0.75
Impact of sequence on the molecular assembly of short amyloid peptides. Proteins (2014) 0.75
Identification of fibrillogenic regions in human triosephosphate isomerase. PeerJ (2016) 0.75
Mapping the Protein Fold Universe Using the CamTube Force Field in Molecular Dynamics Simulations. PLoS Comput Biol (2015) 0.75
Charge density distributions derived from smoothed electrostatic potential functions: design of protein reduced point charge models. J Comput Aided Mol Des (2011) 0.75
Amyloid-β protein oligomerization and the importance of tetramers and dodecamers in the aetiology of Alzheimer's disease. Nat Chem (2009) 3.66
Amyloid beta-protein: monomer structure and early aggregation states of Abeta42 and its Pro19 alloform. J Am Chem Soc (2005) 2.19
Amyloid beta-protein monomer structure: a computational and experimental study. Protein Sci (2006) 1.99
Elucidating amyloid beta-protein folding and assembly: A multidisciplinary approach. Acc Chem Res (2006) 1.80
Structure of the 21-30 fragment of amyloid beta-protein. Protein Sci (2006) 1.51
Human islet amyloid polypeptide monomers form ordered beta-hairpins: a possible direct amyloidogenic precursor. J Am Chem Soc (2009) 1.46
The structure of the Alzheimer amyloid beta 10-35 peptide probed through replica-exchange molecular dynamics simulations in explicit solvent. J Mol Biol (2006) 1.42
Role of water in mediating the assembly of Alzheimer amyloid-beta Abeta16-22 protofilaments. J Am Chem Soc (2008) 1.42
Effects of surface tethering on protein folding mechanisms. Proc Natl Acad Sci U S A (2006) 1.27
Folding landscapes of the Alzheimer amyloid-beta(12-28) peptide. J Mol Biol (2006) 1.24
Effects of familial Alzheimer's disease mutations on the folding nucleation of the amyloid beta-protein. J Mol Biol (2008) 1.24
The binding of thioflavin T and its neutral analog BTA-1 to protofibrils of the Alzheimer's disease Abeta(16-22) peptide probed by molecular dynamics simulations. J Mol Biol (2008) 1.22
The amyloid formation mechanism in human IAPP: dimers have β-strand monomer-monomer interfaces. J Am Chem Soc (2011) 1.22
The structure of Abeta42 C-terminal fragments probed by a combined experimental and theoretical study. J Mol Biol (2009) 1.19
Reconstruction of the src-SH3 protein domain transition state ensemble using multiscale molecular dynamics simulations. J Mol Biol (2005) 1.18
Role of the familial Dutch mutation E22Q in the folding and aggregation of the 15-28 fragment of the Alzheimer amyloid-beta protein. Proc Natl Acad Sci U S A (2008) 1.06
Effects of solvent on the structure of the Alzheimer amyloid-beta(25-35) peptide. Biophys J (2006) 1.04
Binding modes of thioflavin-T to the single-layer beta-sheet of the peptide self-assembly mimics. J Mol Biol (2009) 1.03
Posttransition state desolvation of the hydrophobic core of the src-SH3 protein domain. Biophys J (2003) 1.03
New insights into the mechanism of Alzheimer amyloid-beta fibrillogenesis inhibition by N-methylated peptides. Biophys J (2007) 1.02
Reconciling theories of chaperonin accelerated folding with experimental evidence. Cell Mol Life Sci (2009) 1.02
Aβ(39-42) modulates Aβ oligomerization but not fibril formation. Biochemistry (2011) 1.01
Structural diversity of dimers of the Alzheimer amyloid-beta(25-35) peptide and polymorphism of the resulting fibrils. Phys Chem Chem Phys (2010) 1.01
Sequence periodicity and secondary structure propensity in model proteins. Protein Sci (2010) 1.00
Effect of beta-sheet propensity on peptide aggregation. J Chem Phys (2009) 1.00
Oligomers of the prion protein fragment 106-126 are likely assembled from beta-hairpins in solution, and methionine oxidation inhibits assembly without altering the peptide's monomeric conformation. J Am Chem Soc (2010) 0.99
Diversity of kinetic pathways in amyloid fibril formation. J Chem Phys (2009) 0.99
Ion mobility spectrometry reveals the mechanism of amyloid formation of Aβ(25-35) and its modulation by inhibitors at the molecular level: epigallocatechin gallate and scyllo-inositol. J Am Chem Soc (2013) 0.97
The influence of different treatments of electrostatic interactions on the thermodynamics of folding of peptides. J Phys Chem B (2005) 0.94
Probing the structural hierarchy and energy landscape of an RNA T-loop hairpin. Nucleic Acids Res (2007) 0.93
Folding of the 25 residue Abeta(12-36) peptide in TFE/water: temperature-dependent transition from a funneled free-energy landscape to a rugged one. J Phys Chem B (2007) 0.92
Role of β-hairpin formation in aggregation: the self-assembly of the amyloid-β(25-35) peptide. Biophys J (2012) 0.91
Amyloid beta-protein: experiment and theory on the 21-30 fragment. J Phys Chem B (2009) 0.91
Reaction coordinates, one-dimensional Smoluchowski equations, and a test for dynamical self-consistency. J Chem Phys (2013) 0.91
Self-assembly of beta-sheet forming peptides into chiral fibrillar aggregates. J Chem Phys (2007) 0.90
The linker between the dimerization and catalytic domains of the CheA histidine kinase propagates changes in structure and dynamics that are important for enzymatic activity. Biochemistry (2014) 0.90
Self-assembly of peptides into a beta-barrel motif. J Chem Phys (2004) 0.89
Stability of a protein tethered to a surface. J Chem Phys (2007) 0.89
What determines the structure and stability of KFFE monomers, dimers, and protofibrils? Biophys J (2009) 0.89
Binding of Congo red to amyloid protofibrils of the Alzheimer Aβ(9-40) peptide probed by molecular dynamics simulations. Biophys J (2012) 0.88
Molecular structures of quiescently grown and brain-derived polymorphic fibrils of the Alzheimer amyloid abeta9-40 peptide: a comparison to agitated fibrils. PLoS Comput Biol (2010) 0.88
Computational studies of protein aggregation: methods and applications. Annu Rev Phys Chem (2015) 0.87
Assisted peptide folding by surface pattern recognition. Biophys J (2011) 0.87
Structural similarities and differences between amyloidogenic and non-amyloidogenic islet amyloid polypeptide (IAPP) sequences and implications for the dual physiological and pathological activities of these peptides. PLoS Comput Biol (2013) 0.86
Defining the molecular basis of amyloid inhibitors: human islet amyloid polypeptide-insulin interactions. J Am Chem Soc (2014) 0.86
Computational and experimental analyses reveal the essential roles of interdomain linkers in the biological function of chemotaxis histidine kinase CheA. J Am Chem Soc (2012) 0.85
On the origin of the stronger binding of PIB over thioflavin T to protofibrils of the Alzheimer amyloid-β peptide: a molecular dynamics study. Biophys J (2011) 0.85
Resveratrol inhibits the formation of multiple-layered β-sheet oligomers of the human islet amyloid polypeptide segment 22-27. Biophys J (2011) 0.85
The effect of surface tethering on the folding of the src-SH3 protein domain. Phys Biol (2009) 0.85
Effects of surface interactions on peptide aggregate morphology. J Chem Phys (2011) 0.84
Initiation of assembly of tau(273-284) and its ΔK280 mutant: an experimental and computational study. Phys Chem Chem Phys (2013) 0.83
Double resolution model for studying TMAO/water effective interactions. J Phys Chem B (2013) 0.83
On the origins of the weak folding cooperativity of a designed ββα ultrafast protein FSD-1. PLoS Comput Biol (2010) 0.83
Determination of biomembrane bending moduli in fully atomistic simulations. J Am Chem Soc (2014) 0.82
Aggregation of polyalanine in a hydrophobic environment. J Chem Phys (2006) 0.82
β-sheet propensity controls the kinetic pathways and morphologies of seeded peptide aggregation. J Chem Phys (2012) 0.81
The physics of the interactions governing folding and association of proteins. Ann N Y Acad Sci (2005) 0.81
Overhauser dynamic nuclear polarization and molecular dynamics simulations using pyrroline and piperidine ring nitroxide radicals. J Magn Reson (2009) 0.81
The right angle (RA) motif: a prevalent ribosomal RNA structural pattern found in group I introns. J Mol Biol (2012) 0.80
Effects of pH and charge state on peptide assembly: the YVIFL model system. J Phys Chem B (2013) 0.80
Temperature dependence of the free energy landscape of the src-SH3 protein domain. Proteins (2004) 0.80
Mutual Exclusion of Urea and Trimethylamine N-Oxide from Amino Acids in Mixed Solvent Environment. J Phys Chem Lett (2015) 0.78
Interactions between amyloid-β and Tau fragments promote aberrant aggregates: implications for amyloid toxicity. J Phys Chem B (2014) 0.78
Relative stability of de novo four-helix bundle proteins: insights from coarse grained molecular simulations. Protein Sci (2011) 0.77
Molecularly Smooth Self-Assembled Monolayer for High-Mobility Organic Field-Effect Transistors. Nano Lett (2016) 0.76
Coarse-grained modeling of simple molecules at different resolutions in the absence of good sampling. J Phys Chem B (2012) 0.76
Coarse kMC-based replica exchange algorithms for the accelerated simulation of protein folding in explicit solvent. Phys Chem Chem Phys (2016) 0.76
Elucidation of the Aggregation Pathways of Helix-Turn-Helix Peptides: Stabilization at the Turn Region Is Critical for Fibril Formation. Biochemistry (2015) 0.76
Computational methods in nanostructure design: replica exchange simulations of self-assembling peptides. Methods Mol Biol (2008) 0.76
Energetics of infinite homopolypeptide chains: a new look at commonly used force fields. J Phys Chem B (2008) 0.76
Effects of frustration, confinement, and surface interactions on the dimerization of an off-lattice beta-barrel protein. J Chem Phys (2005) 0.76
Kinetic pathways to peptide aggregation on surfaces: the effects of β-sheet propensity and surface attraction. J Chem Phys (2012) 0.76
A coarse-grained model for peptide aggregation on a membrane surface. J Phys Chem B (2014) 0.76
The GA-minor submotif as a case study of RNA modularity, prediction, and design. Wiley Interdiscip Rev RNA (2013) 0.75
Aggregation of Chameleon Peptides: Implications of α-Helicity in Fibril Formation. J Phys Chem B (2016) 0.75
Editorial for January 2015 for JPC A/B/C. J Phys Chem A (2015) 0.75
TMAO Counteracts Urea Denaturation by Inhibiting Protein-Urea Preferential Interaction. J Am Chem Soc (2017) 0.75
Editorial for January 2016 for JPC A/B/C. J Phys Chem A (2016) 0.75
Editorial for January 2017 for JPC A/B/C. J Phys Chem A (2017) 0.75
Editorial for January 2017 for JPC A/B/C. J Phys Chem B (2017) 0.75
A hybrid MD-kMC algorithm for folding proteins in explicit solvent. Phys Chem Chem Phys (2014) 0.75
Virtual Issue in Honor of the 150th Birthday of Marie Curie: Highlighting Female Physical Chemists. J Phys Chem A (2017) 0.75
Editorial for January 2015 for JPC A/B/C. J Phys Chem B (2015) 0.75
Virtual Issue in Honor of the 150th Birthday of Marie Curie: Highlighting Female Physical Chemists. J Phys Chem B (2017) 0.75
Terminal capping of an amyloidogenic Tau fragment modulates its fibrillation propensity. J Phys Chem B (2020) 0.75
Editorial for January 2016 for JPC A/B/C. J Phys Chem B (2016) 0.75
Structure and stability of amyloid fibrils formed from synthetic beta-peptides. Front Biosci (2008) 0.75
Virtual Issue in Honor of the 150th Birthday of Marie Curie: Highlighting Female Physical Chemists. J Phys Chem Lett (2017) 0.75