Model for the fast estimation of basis set superposition error in biomolecular systems

Pairwise additivity of energy components in protein-ligand binding: The HIV II protease-Indinavir case

(2011) Melek N. Ucisik et al.   JOURNAL OF CHEMICAL PHYSICS

Formal Estimation of Errors in Computed Absolute Interaction Energies of Protein−Ligand Complexes

(2011) John C. Faver et al.   Journal of Chemical Theory and Computation

The Energy Computation Paradox and ab initio Protein Folding

(2011) John C. Faver et al.   PLoS One

Communications: Is quantum chemical treatment of biopolymers accurate? Intramolecular basis set superposition error (BSSE)

(2010) Roman M. Balabin   JOURNAL OF CHEMICAL PHYSICS

Limits of Free Energy Computation for Protein−Ligand Interactions

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

Divide and Conquer Hartree−Fock Calculations on Proteins

(2010) Xiao He et al.   Journal of Chemical Theory and Computation

An Atomic Counterpoise Method for Estimating Inter- and Intramolecular Basis Set Superposition Errors

(2009) Frank Jensen   Journal of Chemical Theory and Computation

Importance of Dispersion and Electron Correlation in ab Initio Protein Folding

(2009) Xiao He et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Intramolecular basis set superposition error effects on the planarity of benzene and other aromatic molecules: A solution to the problem

(2008) David Asturiol et al.   JOURNAL OF CHEMICAL PHYSICS