Investigating a back door mechanism of actin phosphate release by steered molecular dynamics

VMD: Visual molecular dynamics

1996 • 54,630 citations

Comparison of simple potential functions for simulating liquid water

1983 • 37,746 citations

Computer Simulation of Liquids

2017 • 20,627 citations

Intermolecular and Surface Forces

2011 • 17,408 citations

Computer Simulation of Liquids

1988 • 15,963 citations

<scp>CHARMM</scp>: A program for macromolecular energy, minimization, and dynamics calculations

1983 • 14,615 citations

Advanced inorganic chemistry

1999 • 14,227 citations

Intermolecular and Surface Forces

2011 • 9,009 citations

Advanced inorganic chemistry

1973 • 7,079 citations

Handbook of Stochastic Methods for Physics, Chemistry and the Natural Sciences

1985 • 3,751 citations

X-PLOR Version 3.1: A System for X-ray Crystallography and NMR

1992 • 3,488 citations

Data for biochemical research

1987 • 3,056 citations

The structure and properties of water

1970 • 2,973 citations

Enzyme structure and mechanism

1977 • 2,935 citations

Enzyme structure and mechanism

1978 • 2,897 citations

Dynamic strength of molecular adhesion bonds

1997 • 2,444 citations

The Structure and Properties of Water

1969 • 1,899 citations

Atomic structure of the actin: DNase I complex

1990 • 1,897 citations

Biophysical chemistry

1979 • 1,709 citations

Data for biochemical research

1987 • 1,200 citations

Enzyme-Catalyzed Phosphoryl Transfer Reactions

1980 • 1,120 citations

Three-dimensional structure of the ATPase fragment of a 70K heat-shock cognate protein

1990 • 1,035 citations

Ligand Binding: Molecular Mechanics Calculation of the Streptavidin-Biotin Rupture Force

1996 • 913 citations

Molecular dynamics study of unbinding of the avidin-biotin complex

1997 • 774 citations

Chemotaxis in Eukaryotic Cells: A Focus on Leukocytes and Dictyostelium

1988 • 623 citations

Flexibility of Actin Filaments Derived from Thermal Fluctuations

1995 • 592 citations

Structure of gelsolin segment 1-actin complex and the mechanism of filament severing

1993 • 574 citations

The rate of actin-based motility of intracellular Listeria monocytogenes equals the rate of actin polymerization

1992 • 533 citations

Enhanced sampling in molecular dynamics: use of the time-dependent Hartree approximation for a simulation of carbon monoxide diffusion through myoglobin

1990 • 509 citations

Refinement of the F-Actin Model against X-ray Fiber Diffraction Data by the Use of a Directed Mutation Algorithm

1993 • 503 citations

pH-Induced denaturation of proteins: a single salt bridge contributes 3-5 kcal/mol to the free energy of folding of T4 lysozyme

1990 • 503 citations

Steered Molecular Dynamics

1999 • 406 citations

Hydrophilicity of cavities in proteins

1996 • 390 citations

Similarity of the three-dimensional structures of actin and the ATPase fragment of a 70-kDa heat shock cognate protein.

1991 • 352 citations

Actin: protein structure and filament dynamics.

1991 • 309 citations

Computational Molecular Dynamics: Challenges, Methods, Ideas

1999 • 269 citations

Microscopic simulations of macroscopic dielectric constants of solvated proteins

1991 • 256 citations

Dielectric properties of trypsin inhibitor and lysozyme calculated from molecular dynamics simulations

1993 • 179 citations

A change in actin conformation associated with filament instability after P _i release

1999 • 161 citations

Direct evidence for ADP-inorganic phosphate-F-actin as the major intermediate in ATP-actin polymerization. Rate of dissociation of inorganic phosphate from actin filaments

1986 • 160 citations

Binding pathway of retinal to bacterio-opsin: a prediction by molecular dynamics simulations

1997 • 158 citations

Structure and Dynamics of Calmodulin in Solution

1998 • 154 citations

Structural basis of the 70-kilodalton heat shock cognate protein ATP hydrolytic activity. II. Structure of the active site with ADP or ATP bound to wild type and mutant ATPase fragment.

1994 • 152 citations

Normal modes as refinement parameters for the F-actin model

1995 • 147 citations

Continuous Monitoring of P_i Release Following Nucleotide Hydrolysis in Actin or Tubulin Assembly Using 2-Amino-6-mercapto-7-methylpurine Ribonucleoside and Purine-Nucleoside Phosphorylase as an Enzyme-Linked Assay

1996 • 146 citations

Binding of phosphate to F-ADP-actin and role of F-ADP-Pi-actin in ATP-actin polymerization.

1988 • 142 citations

Tightly-bound divalent cation of actin

1992 • 140 citations

Role of nucleotide hydrolysis in the dynamics of actin filaments and microtubules

1991 • 134 citations

Water in channel-like cavities: structure and dynamics

1996 • 132 citations

Structure-Energy Analysis of the Role of Metal Ions in Phosphodiester Bond Hydrolysis by DNA Polymerase I

1995 • 128 citations

Role of Nucleotide Hydrolysis in the Dynamics of Actin Filaments and Microtubules

1989 • 119 citations

Nucleotide exchange, structure, and mechanical properties of filaments assembled from ATP-actin and ADP-actin.

1992 • 96 citations

Nucleotide binding to actin. Cation dependence of nucleotide dissociation and exchange rates.

1993 • 95 citations

Molecular dynamics simulations of water within models of ion channels

1996 • 95 citations

Microfilament-based motility in non-muscle cells

1989 • 70 citations

Stability and dynamics of G-actin: back-door water diffusion and behavior of a subdomain 3/4 loop

1997 • 69 citations

Muscle proteins: actin

1991 • 55 citations

Effects of the type of divalent cation, Ca2+ or Mg2+, bound at the high-affinity site and of the ionic composition of the solution on the structure of F-actin

1996 • 54 citations

Phalloidin reduces the release of inorganic phosphate during actin polymerization

1990 • 46 citations

Studies on the role of actin's N tau-methylhistidine using oligodeoxynucleotide-directed site-specific mutagenesis.

1987 • 40 citations

Actin of Naegleria gruberi. Absence of N tau-methylhistidine.

1984 • 34 citations

Biophysical chemistry. Volume 1

1959 • 28 citations

Binding of Phosphate, Aluminum Fluoride, or Beryllium Fluoride to F-actin Inhibits Severing by Gelsolin

1996 • 24 citations

Purification and Characterization of the vnf-encoded Apodinitrogenase from Azotobacter vinelandii

1996 • 23 citations

Structure, function, and dynamics of cell motility proteins

1998 • 2 citations