Published in J Phys Chem B on March 19, 2008
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Design and characterization of a membrane permeable N-methyl amino acid-containing peptide that inhibits Abeta1-40 fibrillogenesis. J Pept Res (2002) 1.17
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Probing the origins of increased activity of the E22Q "Dutch" mutant Alzheimer's beta-amyloid peptide. Biophys J (2001) 1.06
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Insights into amyloid structural formation and assembly through computational approaches. Amyloid (2004) 0.90
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Structural and dynamical analysis of the hydration of the Alzheimer's beta-amyloid peptide. J Comput Chem (2003) 0.88
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Probing amyloid fibril formation of the NFGAIL peptide by computer simulations. J Chem Phys (2007) 0.86
Misfolded free energy surface of a peptide with alphabetabeta motif (1PSV) using the generalized Born solvation model. J Chem Phys (2004) 0.81
Functional genomics reveal that the serine synthesis pathway is essential in breast cancer. Nature (2011) 8.03
Statistical coil model of the unfolded state: resolving the reconciliation problem. Proc Natl Acad Sci U S A (2005) 2.32
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Helix, sheet, and polyproline II frequencies and strong nearest neighbor effects in a restricted coil library. Biochemistry (2005) 1.73
Long time dynamics of Met-enkephalin: comparison of explicit and implicit solvent models. Biophys J (2002) 1.52
How the thymus designs antigen-specific and self-tolerant T cell receptor sequences. Proc Natl Acad Sci U S A (2008) 1.32
Mimicking the folding pathway to improve homology-free protein structure prediction. Proc Natl Acad Sci U S A (2009) 1.25
Influence of nonlinear electrostatics on transfer energies between liquid phases: charge burial is far less expensive than Born model. Proc Natl Acad Sci U S A (2008) 1.25
Minimalist representations and the importance of nearest neighbor effects in protein folding simulations. J Mol Biol (2006) 1.19
Automated real-space refinement of protein structures using a realistic backbone move set. Biophys J (2011) 1.16
Modeling the hydration layer around proteins: applications to small- and wide-angle x-ray scattering. Biophys J (2011) 1.11
Photon shot noise limits on optical detection of neuronal spikes and estimation of spike timing. Biophys J (2013) 1.11
Reduced C(beta) statistical potentials can outperform all-atom potentials in decoy identification. Protein Sci (2007) 1.09
Modeling the hydration layer around proteins: HyPred. Biophys J (2010) 1.08
Large-scale context in protein folding: villin headpiece. Biochemistry (2003) 1.07
Quantifying the structural requirements of the folding transition state of protein A and other systems. J Mol Biol (2008) 1.05
Small proteins fold through transition states with native-like topologies. J Mol Biol (2006) 1.04
Solvation effect on conformations of 1,2:dimethoxyethane: charge-dependent nonlinear response in implicit solvent models. J Chem Phys (2008) 1.03
Whole-brain activity mapping onto a zebrafish brain atlas. Nat Methods (2015) 0.97
Molecular origins of cofilin-linked changes in actin filament mechanics. J Mol Biol (2013) 0.95
A simple method for faster nonbonded force evaluations. J Comput Chem (2005) 0.95
Does equilibrium polymerization describe the dynamic heterogeneity of glass-forming liquids? J Chem Phys (2006) 0.92
Extended structures in RNA folding intermediates are due to nonnative interactions rather than electrostatic repulsion. J Mol Biol (2010) 0.92
The glass transition temperature of polymer melts. J Phys Chem B (2005) 0.92
Entropy theory of polymer glass formation revisited. I. General formulation. J Chem Phys (2006) 0.91
Langevin-Debye model for nonlinear electrostatic screening of solvated ions. Phys Rev Lett (2009) 0.91
De novo prediction of protein folding pathways and structure using the principle of sequential stabilization. Proc Natl Acad Sci U S A (2012) 0.91
Polypeptide motions are dominated by peptide group oscillations resulting from dihedral angle correlations between nearest neighbors. Biochemistry (2007) 0.91
The folding transition state of protein L is extensive with nonnative interactions (and not small and polarized). J Mol Biol (2012) 0.90
Crowding induced self-assembly and enthalpy-entropy compensation. Phys Rev Lett (2009) 0.88
Modeling large regions in proteins: applications to loops, termini, and folding. Protein Sci (2011) 0.86
Psi-constrained simulations of protein folding transition states: implications for calculating. J Mol Biol (2009) 0.86
Multistep relaxation in equilibrium polymer solutions: a minimal model of relaxation in "complex" fluids. J Chem Phys (2008) 0.85
A probabilistic and continuous model of protein conformational space for template-free modeling. J Comput Biol (2010) 0.85
Lattice model of equilibrium polymerization. VII. Understanding the role of "cooperativity" in self-assembly. J Chem Phys (2008) 0.85
Simplified protein models: predicting folding pathways and structure using amino acid sequences. Phys Rev Lett (2013) 0.83
A Probabilistic Graphical Model for Ab Initio Folding. Res Comput Mol Biol (2009) 0.83
Context and force field dependence of the loss of protein backbone entropy upon folding using realistic denatured and native state ensembles. J Am Chem Soc (2012) 0.82
Electrostatic solvation energy for two oppositely charged ions in a solvated protein system: salt bridges can stabilize proteins. Biophys J (2010) 0.81
Lattice model of equilibrium polymerization. VI. Measures of fluid "complexity" and search for generalized corresponding states. J Chem Phys (2007) 0.81
Application of the entropy theory of glass formation to poly(alpha-olefins). J Chem Phys (2009) 0.80
Protein structure prediction enhanced with evolutionary diversity: SPEED. Protein Sci (2010) 0.80
On docking, scoring and assessing protein-DNA complexes in a rigid-body framework. PLoS One (2012) 0.80
Plasticization and antiplasticization of polymer melts diluted by low molar mass species. J Chem Phys (2010) 0.80
A novel implicit solvent model for simulating the molecular dynamics of RNA. Biophys J (2013) 0.77
Lattice model of equilibrium polymerization. V. Scattering properties and the width of the critical regime for phase separation. J Chem Phys (2006) 0.77
Equilibrium polymerization models of re-entrant self-assembly. J Chem Phys (2009) 0.77
An exactly solvable model of hierarchical self-assembly. J Chem Phys (2009) 0.77
Prediction of electronic structure of organic radicaloid anions using efficient, economical multireference gradient approach. Phys Chem Chem Phys (2011) 0.76
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Lattice cluster theory of associating polymers. II. Enthalpy and entropy of self-assembly and Flory-Huggins interaction parameter χ for solutions of telechelic molecules. J Chem Phys (2012) 0.76
Folding and misfolding of the papillomavirus E6 interacting peptide E6ap. Proc Natl Acad Sci U S A (2003) 0.76
Geometry optimization of radicaloid systems using improved virtual orbital-complete active space configuration interaction (IVO-CASCI) analytical gradient method. J Phys Chem A (2010) 0.76
Relativistic effective valence shell Hamiltonian method: excitation and ionization energies of heavy metal atoms. J Chem Phys (2005) 0.75
Competition between self-assembly and surface adsorption. J Chem Phys (2009) 0.75
Direct computation of characteristic temperatures and relaxation times for glass-forming polymer liquids. J Chem Phys (2005) 0.75
Improved virtual orbital multireference Møller-Plesset study of the ground and excited electronic states of protonated acetylene, C2H3+. J Chem Phys (2008) 0.75
Actin polymerization under pressure: a theoretical study. J Chem Phys (2007) 0.75
Beyond Flory-Huggins theory: new classes of blend miscibility associated with monomer structural asymmetry. Phys Rev Lett (2002) 0.75
Electronic structure of the calcium monohydroxide radical. J Chem Phys (2005) 0.75
Reappraisal of cis effect in 1,2-dihaloethenes: an improved virtual orbital multireference approach. J Chem Phys (2008) 0.75
Minimal model of relaxation in an associating fluid: viscoelastic and dielectric relaxations in equilibrium polymer solutions. J Chem Phys (2006) 0.75
Compressible models of equilibrium polymerization. J Chem Phys (2005) 0.75
Comparison of low-order multireference many-body perturbation theories. J Chem Phys (2005) 0.75
Lattice cluster theory of associating polymers. IV. Phase behavior of telechelic polymer solutions. J Chem Phys (2012) 0.75
Analytic density-functional self-consistent-field theory of diblock copolymers near patterned surfaces. J Chem Phys (2004) 0.75
Flory-Huggins model of equilibrium polymerization and phase separation in the Stockmayer fluid. Phys Rev Lett (2004) 0.75
Solvation of polymers as mutual association. II. Basic thermodynamic properties. J Chem Phys (2013) 0.75
Mixtures of lattice polymers with structured monomers. J Chem Phys (2004) 0.75
Lattice cluster theory of associating polymers. I. Solutions of linear telechelic polymer chains. J Chem Phys (2012) 0.75
Thermodynamic scaling of dynamics in polymer melts: predictions from the generalized entropy theory. J Chem Phys (2013) 0.75
Self-assembly in a polymer matrix and its impact on phase separation. J Phys Chem B (2009) 0.75
Self-assembly by mutual association: basic thermodynamic properties. J Phys Chem B (2008) 0.75
Solvation of polymers as mutual association. I. General theory. J Chem Phys (2013) 0.75
Generation of potential energy curves for the X1Sigma(+)g, B1Delta(+)g, and B'1Sigma(+)g states of C2 using the effective valence shell Hamiltonian method. J Chem Phys (2005) 0.75
Geometry optimization using improved virtual orbitals: a complete active space numerical gradient approach. J Chem Phys (2007) 0.75
Lattice cluster theory of associating telechelic polymers. III. Order parameter and average degree of self-assembly, transition temperature, and specific heat. J Chem Phys (2012) 0.75
Application of an efficient multireference approach to free-base porphin and metalloporphyrins: ground, excited, and positive ion states. J Chem Phys (2011) 0.75
Theoretical studies of the ground and excited state structures of stilbene. J Phys Chem A (2013) 0.75
Potential energy curve for isomerization of N2H2 and C2H4 using the improved virtual orbital multireference Møller-Plesset perturbation theory. J Chem Phys (2008) 0.75
Molecular applications of analytical gradient approach for the improved virtual orbital-complete active space configuration interaction method. J Chem Phys (2010) 0.75