Karl F. Freed

发表

Simplified protein models: predicting folding pathways and structure using amino acid sequences.

Aashish N. Adhikari, Karl F. Freed, Tobin R. Sosnick, 2013, Physical review letters.

A Probabilistic Graphical Model for Ab Initio Folding

Feng Zhao, Jian Peng, Jinbo Xu, 2009, RECOMB.

A Probabilistic and Continuous Model of Protein Conformational Space for Template-Free Modeling

Feng Zhao, Jian Peng, Jinbo Xu, 2010, J. Comput. Biol..

AB INITIO COMPUTATIONS OF SEMIEMPIRICAL PI-ELECTRON METHODS: STRUCTURE AND TRANSFERABILITY OF PARAMETERS

Karl F. Freed, Charles H. Martin, 1994 .

A simple method for faster nonbonded force evaluations

Min-Yi Shen, Karl F. Freed, K. Freed, 2005, J. Comput. Chem..

Trajectory-Based Parameterization of a Coarse-Grained Forcefield for High-Thoughput Protein Simulation

Karl F. Freed, Tobin R. Sosnick, John M. Jumper, 2017, bioRxiv.

Polymers as Self-Avoiding Walks

Karl F. Freed, K. Freed, 1981 .

Internal chain conformations of star polymers

Karl F. Freed, Akira Miyake, 1984 .

End-to-end distance of a single self-interacting self-avoiding polymer chain: d -1 expansion

Jack F. Douglas, Takao Ishinabe, Karl F. Freed, 1992 .

A derivation of the exact pi-electron hamiltonian

Karl F. Freed, K. Freed, 1972 .

Ab Initio Calculation of One‐Center Integrals of Semiempirical Theories of Valence

Karl F. Freed, K. Freed, Hosung Sun, 1980 .

GLOBAL THREE-DIMENSIONAL POTENTIAL ENERGY SURFACES OF H2S FROM THE AB INITIO EFFECTIVE VALENCE SHELL HAMILTONIAN METHOD

Rajat K. Chaudhuri, Karl F. Freed, K. Freed, 1996 .

Towards an ab initio determinition of all the parameters which appear in semi-empirical quantum chemical theories

Karl F. Freed, K. Freed, 1972 .

Rapid calculation of side chain packing and free energy with applications to protein molecular dynamics

Karl F. Freed, Tobin R. Sosnick, John M. Jumper, 2016 .

Many-body perturbation theory and the variational pairs of quantum chemistry

Karl F. Freed, K. Freed, 1970 .

Ab initio calculation of the effective valence shell hamiltonian of carbon: Simultaneous treatment of neutral and ion states

Karl F. Freed, Danny L. Yeager, K. Freed, 1978 .

Abinitio computation of semiempirical π‐electron methods. II. Transferability of Hν parameters between ethylene, trans‐butadiene, and cyclobutadiene

Karl F. Freed, Charles H. Martin, K. Freed, 1994 .

Long time dynamics of Met-enkephalin: Tests of mode-coupling theory and implicit solvent models

Min-Yi Shen, Karl F. Freed, K. Freed, 2003 .

Abinitio computation of semiempirical π‐electron methods. I. Constrained, transferable valence spaces in Hν calculations

Karl F. Freed, Charles H. Martin, K. Freed, 1994 .

A lattice model for self‐avoiding polymers with controlled length distributions. II. Corrections to Flory–Huggins mean field

Moungi G. Bawendi, Karl F. Freed, Udayan Mohanty, 1986 .

Renormalization Group Theory of Macromolecules

Karl F. Freed, K. Freed, 1987 .

Applications of multireference perturbation theory to potential energy surfaces by optimal partitioning of H: Intruder states avoidance and convergence enhancement

Rajat K. Chaudhuri, Karl F. Freed, K. Freed, 1995 .

Theta point (‘‘tricritical’’) region behavior for a polymer chain: Transition to collapse

Karl F. Freed, K. Freed, A. Kholodenko, 1984 .

Analysis and Evaluation of Ionization Potentials, Electron Affinities, and Excitation Energies by the Equations of Motion—Green's Function Method

Karl F. Freed, Danny L. Yeager, K. Freed, 2007 .

Marriage of exact enumeration and 1/d expansion methods: Lattice model of dilute polymers

Jack F. Douglas, Takao Ishinabe, Karl F. Freed, 1992 .

Coupled-cluster response theory: parallel algorithms and novel applications

Jeff R. Hammond, Karl F. Freed, 2009 .

Influence of Cohesive Energy on the Thermodynamic Properties of a Model Glass-Forming Polymer Melt

Jack F. Douglas, Karl F. Freed, K. Freed, 2016 .

Theoretical Studies on Excited States of a Phenolate Anion in the Environment of Photoactive Yellow Protein

Robert R. Birge, Karl F. Freed, Charles H. Martin, 2000 .

Benchmarking all-atom simulations using hydrogen exchange

Wookyung Yu, Karl F. Freed, Tobin R. Sosnick, 2014, Proceedings of the National Academy of Sciences.

Even with nonnative interactions, the updated folding transition states of the homologs Proteins G & L are extensive and similar

Ruhong Zhou, Wookyung Yu, Karl F. Freed, 2015, Proceedings of the National Academy of Sciences.

Excluded volume in star polymers: chain conformation space renormalization group

Karl F. Freed, Akira Miyake, K. Freed, 1983 .

A study of the rotational state dependence of predissociation of a polyatomic molecule: The case of ClO2

Stuart A. Rice, Anthony J. Merer, A. J. Merer, 1981 .

Influence of nonlinear electrostatics on transfer energies between liquid phases: Charge burial is far less expensive than Born model

Haipeng Gong, Karl F. Freed, Glen M. Hocky, 2008, Proceedings of the National Academy of Sciences.

Generalized Perturbation Theory and its Application to the Problem of the Description of Electron Correlation in Atoms and Molecules

Karl F. Freed, K. Freed, 1968 .

Including H-Bonding in Depth-Dependent Membrane Burial Potentials for Improving Folding Simulations

Karl F. Freed, Tobin R. Sosnick, Zongan Wang, 2016 .

Towards a molecular theory for modeling long-time polymer dynamics

Karl F. Freed, K. Freed, X. Chang, 1994 .

Tests and Applications of Complete Model Space Quasidegenerate Many-Body Perturbation Theory for Molecules

Karl F. Freed, K. Freed, 1989 .

Effect of residual interactions on polymer properties near the theta point. II: Higher moments and comparison with Monte Carlo calculations

Binny J. Cherayil, Jack F. Douglas, Karl F. Freed, 1987 .

On Docking, Scoring and Assessing Protein-DNA Complexes in a Rigid-Body Framework

Karl F. Freed, Tobin R. Sosnick, Marc Parisien, 2012, PloS one.