Published in J Phys Chem B on May 23, 2007
Determination of alkali and halide monovalent ion parameters for use in explicitly solvated biomolecular simulations. J Phys Chem B (2008) 4.68
Biomolecular electrostatics and solvation: a computational perspective. Q Rev Biophys (2012) 1.39
Ion pairing in molecular simulations of aqueous alkali halide solutions. J Phys Chem B (2009) 1.35
Molecular dynamics simulations of the dynamic and energetic properties of alkali and halide ions using water-model-specific ion parameters. J Phys Chem B (2009) 1.25
Molecular simulation studies of monovalent counterion-mediated interactions in a model RNA kissing loop. J Mol Biol (2009) 1.04
Computer simulation of ion cluster speciation in concentrated aqueous solutions at ambient conditions. J Phys Chem B (2008) 1.00
Salt contribution to RNA tertiary structure folding stability. Biophys J (2011) 0.96
Structural insight into the role of thrombospondin-1 binding to calreticulin in calreticulin-induced focal adhesion disassembly. Biochemistry (2010) 0.95
Morphology of ion clusters in aqueous electrolytes. Phys Rev E Stat Nonlin Soft Matter Phys (2008) 0.94
Conformation and free energy analyses of the complex of calcium-bound calmodulin and the Fas death domain. Biophys J (2008) 0.93
Predicting ion binding properties for RNA tertiary structures. Biophys J (2010) 0.93
An allosteric mechanism inferred from molecular dynamics simulations on phospholamban pentamer in lipid membranes. PLoS One (2011) 0.91
Simulation study of ion pairing in concentrated aqueous salt solutions with a polarizable force field. Faraday Discuss (2013) 0.90
Predicting ion-nucleic acid interactions by energy landscape-guided sampling. J Chem Theory Comput (2012) 0.84
Assessing the performance of implicit solvation models at a nucleic acid surface. Phys Chem Chem Phys (2008) 0.81
Ion disturbance and clustering in the NaCl water solutions. J Mol Model (2012) 0.81
Cation-Anion Interactions within the Nucleic Acid Ion Atmosphere Revealed by Ion Counting. J Am Chem Soc (2015) 0.80
Trifluoperazine regulation of calmodulin binding to Fas: a computational study. Proteins (2011) 0.78
Quantitative analysis of the ion-dependent folding stability of DNA triplexes. Phys Biol (2011) 0.77
Does Cation Size Affect Occupancy and Electrostatic Screening of the Nucleic Acid Ion Atmosphere? J Am Chem Soc (2016) 0.76
Ion pairing in molecular simulations of aqueous alkali halide solutions. J Phys Chem B (2009) 0.75
Classification of intrinsically disordered regions and proteins. Chem Rev (2014) 2.48
Net charge per residue modulates conformational ensembles of intrinsically disordered proteins. Proc Natl Acad Sci U S A (2010) 2.16
Amyloid seeds formed by cellular uptake, concentration, and aggregation of the amyloid-beta peptide. Proc Natl Acad Sci U S A (2009) 2.14
NanoParticle Ontology for cancer nanotechnology research. J Biomed Inform (2010) 2.07
Fluorescence correlation spectroscopy shows that monomeric polyglutamine molecules form collapsed structures in aqueous solutions. Proc Natl Acad Sci U S A (2006) 2.00
Conformations of intrinsically disordered proteins are influenced by linear sequence distributions of oppositely charged residues. Proc Natl Acad Sci U S A (2013) 1.71
Role of backbone-solvent interactions in determining conformational equilibria of intrinsically disordered proteins. J Am Chem Soc (2008) 1.63
ABSINTH: a new continuum solvation model for simulations of polypeptides in aqueous solutions. J Comput Chem (2009) 1.57
Quantitative characterization of intrinsic disorder in polyglutamine: insights from analysis based on polymer theories. Biophys J (2007) 1.53
Opposing effects of glutamine and asparagine govern prion formation by intrinsically disordered proteins. Mol Cell (2011) 1.49
Characterizing the conformational ensemble of monomeric polyglutamine. Proteins (2006) 1.49
Role of solvent in determining conformational preferences of alanine dipeptide in water. J Am Chem Soc (2004) 1.46
Structural biology. Versatility from protein disorder. Science (2012) 1.46
Atomistic simulations of the effects of polyglutamine chain length and solvent quality on conformational equilibria and spontaneous homodimerization. J Mol Biol (2008) 1.43
Unmasking the roles of N- and C-terminal flanking sequences from exon 1 of huntingtin as modulators of polyglutamine aggregation. Proc Natl Acad Sci U S A (2013) 1.39
Parameters of monovalent ions in the AMBER-99 forcefield: assessment of inaccuracies and proposed improvements. J Phys Chem B (2007) 1.31
Modulation of polyglutamine conformations and dimer formation by the N-terminus of huntingtin. J Mol Biol (2009) 1.30
Reconciling observations of sequence-specific conformational propensities with the generic polymeric behavior of denatured proteins. Biochemistry (2005) 1.23
Toward an accurate theoretical framework for describing ensembles for proteins under strongly denaturing conditions. Biophys J (2006) 1.21
Assessing the contribution of heterogeneous distributions of oligomers to aggregation mechanisms of polyglutamine peptides. Biophys Chem (2011) 1.13
Thermodynamics of beta-sheet formation in polyglutamine. Biophys J (2009) 1.07
Simulations of RNA interactions with monovalent ions. Methods Enzymol (2009) 1.04
Molecular simulation studies of monovalent counterion-mediated interactions in a model RNA kissing loop. J Mol Biol (2009) 1.04
Describing sequence-ensemble relationships for intrinsically disordered proteins. Biochem J (2013) 1.00
Analysis of the conformational dependence of mass-metric tensor determinants in serial polymers with constraints. J Chem Phys (2004) 0.98
Experiments and simulations show how long-range contacts can form in expanded unfolded proteins with negligible secondary structure. Proc Natl Acad Sci U S A (2013) 0.96
Methods for Monte Carlo simulations of biomacromolecules. Annu Rep Comput Chem (2009) 0.94
N-terminal segments modulate the α-helical propensities of the intrinsically disordered basic regions of bZIP proteins. J Mol Biol (2011) 0.93
Ontologies for cancer nanotechnology research. Conf Proc IEEE Eng Med Biol Soc (2009) 0.92
Unmasking functional motifs within disordered regions of proteins. Sci Signal (2012) 0.89
A quantitative measure for protein conformational heterogeneity. J Chem Phys (2013) 0.88
The denatured state ensemble contains significant local and long-range structure under native conditions: analysis of the N-terminal domain of ribosomal protein L9. Biochemistry (2013) 0.85
Crystal lattice properties fully determine short-range interaction parameters for alkali and halide ions. J Chem Phys (2012) 0.84
Satisfying the fluctuation theorem in free-energy calculations with Hamiltonian replica exchange. Phys Rev E Stat Nonlin Soft Matter Phys (2008) 0.83
Quantitative assessments of the distinct contributions of polypeptide backbone amides versus side chain groups to chain expansion via chemical denaturation. J Am Chem Soc (2015) 0.83
Improved atomistic Monte Carlo simulations demonstrate that poly-L-proline adopts heterogeneous ensembles of conformations of semi-rigid segments interrupted by kinks. J Phys Chem B (2012) 0.82
Amyloids go genomic: insights regarding the sequence determinants of prion formation from genome-wide studies. Chembiochem (2009) 0.82
How is functional specificity achieved through disordered regions of proteins? Bioessays (2012) 0.82
New estimators for calculating solvation entropy and enthalpy and comparative assessments of their accuracy and precision. J Phys Chem B (2010) 0.81
Denatured state ensembles with the same radii of gyration can form significantly different long-range contacts. Biochemistry (2013) 0.80
Sequence Determinants of the Conformational Properties of an Intrinsically Disordered Protein Prior to and upon Multisite Phosphorylation. J Am Chem Soc (2016) 0.77