An Analysis of the Interactions between the Sem−5 SH3 Domain and Its Ligands Using Molecular Dynamics, Free Energy Calculations, and Sequence Analysis

Gapped BLAST and PSI-BLAST: a new generation of protein database search programs

1997 • 71,835 citations

Comparison of simple potential functions for simulating liquid water

1983 • 37,746 citations

Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

1993 • 26,634 citations

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

1995 • 12,826 citations

A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model

1993 • 7,156 citations

Calculating Structures and Free Energies of Complex Molecules: Combining Molecular Mechanics and Continuum Models

2000 • 4,459 citations

AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules

1995 • 3,001 citations

Signaling Through Scaffold, Anchoring, and Adaptor Proteins

1997 • 2,268 citations

Accurate Calculation of Hydration Free Energies Using Macroscopic Solvent Models

1994 • 2,072 citations

Free energy calculations: Applications to chemical and biochemical phenomena

1993 • 2,045 citations

Reduced surface: An efficient way to compute molecular surfaces

1996 • 1,864 citations

Fast, efficient generation of high-quality atomic charges. AM1-BCC model: I. Method

2000 • 1,445 citations

Free Energy Via Molecular Simulation: Applications to Chemical and Biomolecular Systems

1989 • 1,052 citations

The MIDAS display system

1988 • 955 citations

Computational Alanine Scanning To Probe Protein−Protein Interactions: A Novel Approach To Evaluate Binding Free Energies

1999 • 741 citations

C. elegans cell-signalling gene sem-5 encodes a protein with SH2 and SH3 domains

1992 • 603 citations

Defective T Cell Differentiation in the Absence of Jnk1

1998 • 590 citations

MODULAR PEPTIDE RECOGNITION DOMAINS IN EUKARYOTIC SIGNALING

1997 • 558 citations

A Drosophila SH2-SH3 adaptor protein implicated in coupling the sevenless tyrosine kinase to an activator of Ras guanine nucleotide exchange, Sos

1993 • 555 citations

An SH3-SH2-SH3 protein is required for p21Ras1 activation and binds to sevenless and Sos proteins in vitro

1993 • 451 citations

Large-Cage Zeolite Structures with Multidimensional 12-Ring Channels

1997 • 322 citations

Free energy calculations on dimer stability of the HIV protease using molecular dynamics and a continuum solvent model

2000 • 310 citations

Exploiting the Basis of Proline Recognition by SH3 and WW Domains: Design of N-Substituted Inhibitors

1998 • 309 citations

Computer Simulation of Biomolecular Systems

1981 • 201 citations

Protein folding and protein evolution: common folding nucleus in different subfamilies of c-type cytochromes?

1998 • 128 citations

Non-functional conserved residues in globins and their possible role as a folding nucleus 1 1Edited by F. E. Cohen

1999 • 117 citations

Action of brefeldin A blocked by activation of a pertussis-toxin-sensitive G protein

1992 • 104 citations

Manuscript Preparation

1999 • 68 citations