Further refinements of next-generation force fields — Nonempirical localization of off-centered points in molecules

On Extension of the Current Biomolecular Empirical Force Field for the Description of Halogen Bonds

(2012) Michal Kolář et al.   Journal of Chemical Theory and Computation

Electron Pair Localization Function (EPLF) for Density Functional Theory andab InitioWave Function-Based Methods: A New Tool for Chemical Interpretation

(2011) Anthony Scemama et al.   Journal of Chemical Theory and Computation

A second generation distributed point polarizable water model

(2010) Revati Kumar et al.   JOURNAL OF CHEMICAL PHYSICS

Gas-Phase Folding of a Two-Residue Model Peptide Chain: On the Importance of an Interplay between Experiment and Theory

(2010) E. Gloaguen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

CHARMM: The biomolecular simulation program

(2009) B. R. Brooks et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

What can be learnt on biologically relevant systems from the topological analysis of the electron localization function?

(2008) J.-P. Piquemal et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY