The Energy Computation Paradox and ab initio Protein Folding

Energy Matrix of Structurally Important Side-Chain/Side-Chain Interactions in Proteins

(2010) Karel Berka et al.   Journal of Chemical Theory and Computation

Limits of Free Energy Computation for Protein−Ligand Interactions

(2010) Kenneth M. Merz   Journal of Chemical Theory and Computation

Combined Quantum Mechanical and Molecular Mechanical Methods for Calculating Potential Energy Surfaces: Tuned and Balanced Redistributed-Charge Algorithm

(2010) Bo Wang et al.   Journal of Chemical Theory and Computation

Non-additivity of Functional Group Contributions in Protein–Ligand Binding: A Comprehensive Study by Crystallography and Isothermal Titration Calorimetry

(2010) Bernhard Baum et al.   JOURNAL OF MOLECULAR BIOLOGY

Predicting protein structures with a multiplayer online game

(2010) Seth Cooper et al.   NATURE

Force Field Bias in Protein Folding Simulations

(2009) Peter L. Freddolino et al.   BIOPHYSICAL JOURNAL

Further analysis and comparative study of intermolecular interactions using dimers from the S22 database

(2009) Laszlo Fusti Molnar et al.   JOURNAL OF CHEMICAL PHYSICS

A Transferable H-Bonding Correction for Semiempirical Quantum-Chemical Methods

(2009) Martin Korth et al.   Journal of Chemical Theory and Computation

Sampling Bottlenecks in De novo Protein Structure Prediction

(2009) David E. Kim et al.   JOURNAL OF MOLECULAR BIOLOGY

CASP8 results in context of previous experiments

(2009) Andriy Kryshtafovych et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

The Protein Folding Problem

(2008) Ken A. Dill et al.   Annual Review of Biophysics

Ten-Microsecond Molecular Dynamics Simulation of a Fast-Folding WW Domain

(2008) Peter L. Freddolino et al.   BIOPHYSICAL JOURNAL

Quantitative quantum chemistry

(2008) Trygve Helgaker et al.   MOLECULAR PHYSICS