Comparing experimental and computational alanine scanning techniques for probing a prototypical protein–protein interaction

A survey of available tools and web servers for analysis of protein-protein interactions and interfaces

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Absolute Single-Molecule Entropies from Quasi-Harmonic Analysis of Microsecond Molecular Dynamics: Correction Terms and Convergence Properties

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Independent-Trajectories Thermodynamic-Integration Free-Energy Changes for Biomolecular Systems: Determinants of H5N1 Avian Influenza Virus Neuraminidase Inhibition by Peramivir

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A Vulnerability in Popular Molecular Dynamics Packages Concerning Langevin and Andersen Dynamics

(2008) David S. Cerutti et al.   Journal of Chemical Theory and Computation

An improved method to predict the entropy term with the MM/PBSA approach

(2008) Jacob Kongsted et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Molecular Dynamics—Solvated Interaction Energy Studies of Protein–Protein Interactions: The MP1–p14 Scaffolding Complex

(2008) Qizhi Cui et al.   JOURNAL OF MOLECULAR BIOLOGY

Rapid and Accurate Prediction of Binding Free Energies for Saquinavir-Bound HIV-1 Proteases

(2008) Ileana Stoica et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Protein–protein recognition: a computational mutagenesis study of the MDM2–P53 complex

(2008) Irina S. Moreira et al.   THEORETICAL CHEMISTRY ACCOUNTS