Unconventional interactions between water and heterocyclic nitrogens in protein structures

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

1988 • 93,162 citations

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

1970 • 20,717 citations

The Pfam protein families database.

2002 • 14,298 citations

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

1995 • 12,826 citations

The Pfam protein families database

2003 • 2,952 citations

Amino‐aromatic interactions in proteins

1986 • 752 citations

Aromatic rings act as hydrogen bond acceptors

1988 • 685 citations

Distributions of water around amino acid residues in proteins

1988 • 216 citations

Intramolecular Quenching of Tryptophan Fluorescence by the Peptide Bond in Cyclic Hexapeptides

2002 • 148 citations

Water−Nucleobase “Stacking”: H−π and Lone Pair−π Interactions in the Atomic Resolution Crystal Structure of an RNA Pseudoknot

2003 • 130 citations

E-MSD: the European Bioinformatics Institute Macromolecular Structure Database

2003 • 106 citations

Classical molecular interaction potentials: Improved setup procedure in molecular dynamics simulations of proteins

2001 • 91 citations

Aromatic interactions in homeodomains contribute to the low quantum yield of a conserved, buried tryptophan

2000 • 55 citations

Molecular interaction potential: A new tool for the theoretical study of molecular reactivity

1993 • 52 citations

Crystal Structures of Engrailed Homeodomain Mutants

2003 • 41 citations

Ab initio calculations on indole–water, 1-methylindole–water and indole–(water)2

2000 • 40 citations

Aromatic Amino Acids Are Critical for Stability of the Bicoid Homeodomain

2001 • 20 citations