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Author Details

Karl F Freed
University of Chicago
1985
138
30
Andrej Sali (CM4AI)
PMIDPaper TitleJournal TitlePublished Year
34936354Prediction and Validation of a Protein's Free Energy Surface Using Hydrogen Exchange and (Importantly) Its Denaturant Dependence.J Chem Theory Comput2022
35213808Challenges and Advantages of Accounting for Backbone Flexibility in Prediction of Protein-Protein Complexes.J Chem Theory Comput2022
31575160Lattice theory for binding of linear polymers to a solid substrate from polymer melts: I. Influence of chain connectivity on molecular binding and adsorption.J Chem Phys2019
31587831On the Interpretation of Force-Induced Unfolding Studies of Membrane Proteins Using Fast Simulations.Biophys J2019
31575163Lattice theory for binding of linear polymers to a solid substrate from polymer melts. II. Influence of van der Waals interactions and chain semiflexibility on molecular binding and adsorption.J Chem Phys2019
30384679Dielectric virial expansion of polarizable dipolar spheres.J Chem Phys2018
30166460Response to Comment on "Innovative scattering analysis shows that hydrophobic disordered proteins are expanded in water".Science2018
30068175Lattice theory of competitive binding: Influence of van der Waals interactions on molecular binding and adsorption to a solid substrate from binary liquid mixtures.J Chem Phys2018
30589846Accurate calculation of side chain packing and free energy with applications to protein molecular dynamics.PLoS Comput Biol2018
30589834Trajectory-based training enables protein simulations with accurate folding and Boltzmann ensembles in cpu-hours.PLoS Comput Biol2018
30413241A Membrane Burial Potential with H-Bonds and Applications to Curved Membranes and Fast Simulations.Biophys J2018
28810766Mixtures of two self- and mutually-associating liquids: Phase behavior, second virial coefficients, and entropy-enthalpy compensation in the free energy of mixing.J Chem Phys2017
28176808Comparative Study of the Collective Dynamics of Proteins and Inorganic Nanoparticles.Sci Rep2017
29026044Innovative scattering analysis shows that hydrophobic disordered proteins are expanded in water.Science2017
28810793Image method for electrostatic energy of polarizable dipolar spheres.J Chem Phys2017
26896771A theory of interactions between polarizable dielectric spheres.J Colloid Interface Sci2016
35651209Stringlike Cooperative Motion Explains the Influence of Pressure on Relaxation in a Model Glass-Forming Polymer Melt.ACS Macro Lett2016
28010099Generalized entropy theory of glass-formation in fully flexible polymer melts.J Chem Phys2016
27782617Image method for induced surface charge from many-body system of dielectric spheres.J Chem Phys2016
27497583Erratum: "Ionic strength independence of charge distributions in solvation of biomolecules" [J. Chem. Phys. 141, 22D503 (2014)].J Chem Phys2016
27253170Relation Between Solvent Quality and Phase Behavior of Ternary Mixtures of Polymers and Two Solvents that Exhibit Cononsolvency.J Phys Chem B2016
27276966Self-assembly and glass-formation in a lattice model of telechelic polymer melts: Influence of stiffness of the sticky bonds.J Chem Phys2016
27078098Cooperative folding near the downhill limit determined with amino acid resolution by hydrogen exchange.Proc Natl Acad Sci U S A2016
25573581The meaning of the "universal" WLF parameters of glass-forming polymer liquids.J Chem Phys2015
26590552Phase behavior and second osmotic virial coefficient for competitive polymer solvation in mixed solvent solutions.J Chem Phys2015
26450285Communication: Cosolvency and cononsolvency explained in terms of a Flory-Huggins type theory.J Chem Phys2015
26254633Communication: The simplified generalized entropy theory of glass-formation in polymer melts.J Chem Phys2015
26100906Even with nonnative interactions, the updated folding transition states of the homologs Proteins G & L are extensive and similar.Proc Natl Acad Sci U S A2015
26049523Theory of competitive solvation of polymers by two solvents and entropy-enthalpy compensation in the solvation free energy upon dilution with the second solvent.J Chem Phys2015
26178122Lattice model of linear telechelic polymer melts. II. Influence of chain stiffness on basic thermodynamic properties.J Chem Phys2015
26178121Lattice model of linear telechelic polymer melts. I. Inclusion of chain semiflexibility in the lattice cluster theory.J Chem Phys2015
25854259Lattice cluster theory for dense, thin polymer films.J Chem Phys2015
24852557Concentration fluctuations in miscible polymer blends: influence of temperature and chain rigidity.J Chem Phys2014
25494774Ionic strength independence of charge distributions in solvation of biomolecules.J Chem Phys2014
25527959Advances in the generalized entropy theory of glass-formation in polymer melts.J Chem Phys2014
25318708Communication: Towards first principles theory of relaxation in supercooled liquids formulated in terms of cooperative motion.J Chem Phys2014
25313044Loss of conformational entropy in protein folding calculated using realistic ensembles and its implications for NMR-based calculations.Proc Natl Acad Sci U S A2014
25349413Benchmarking all-atom simulations using hydrogen exchange.Proc Natl Acad Sci U S A2014
25053309Perturbative many-body expansion for electrostatic energy and field for system of polarizable charged spherical ions in a dielectric medium.J Chem Phys2014
24985676Two glass transitions in miscible polymer blends?J Chem Phys2014
25084958Lattice cluster theory for polymer melts with specific interactions.J Chem Phys2014
23352932Molecular origins of cofilin-linked changes in actin filament mechanics.J Mol Biol2013
24116582Phase field method for nonequilibrium dynamics of reversible self-assembly systems.J Chem Phys2013
23889448Simplified protein models: predicting folding pathways and structure using amino acid sequences.Phys Rev Lett2013
24010668A novel implicit solvent model for simulating the molecular dynamics of RNA.Biophys J2013
23635166Solvation of polymers as mutual association. II. Basic thermodynamic properties.J Chem Phys2013
23635165Solvation of polymers as mutual association. I. General theory.J Chem Phys2013
23802965Thermodynamic scaling of dynamics in polymer melts: predictions from the generalized entropy theory.J Chem Phys2013
23530611Theoretical studies of the ground and excited state structures of stilbene.J Phys Chem A2013
22095743Modeling large regions in proteins: applications to loops, termini, and folding.Protein Sci2012
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Collaborators

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Elucidata Corporation
Co-authored papers 11
National Chung Hsing University
Co-authored papers 7
University of Massachusetts Medical School
Co-authored papers 6
Toyota Technological Institute at Chicago
Co-authored papers 4
University of Illinois
Co-authored papers 3
University of Chicago
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University of Chicago
Co-authored papers 2
University of Florida
Co-authored papers 1
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Seoul National University
Co-authored papers 1
University of Toronto
Co-authored papers 1
University of Texas at Arlington
Co-authored papers 1