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Dynamic Mechanism of E2020 Binding to Acetylcholinesterase: A Steered Molecular Dynamics Simulation

Data up to Jan 2025

Published2005
Citations58
References31

Total Citations Per Year

Abstract

References (31)

The Protein Data Bank

2000 • 35,287 citations

LINCS: A linear constraint solver for molecular simulations

1997 • 14,411 citations

Interaction Models for Water in Relation to Protein Hydration

1981 • 5,479 citations

The Cholinergic Hypothesis of Geriatric Memory Dysfunction

1982 • 5,422 citations

LIGPLOT: a program to generate schematic diagrams of protein-ligand interactions

1995 • 5,246 citations

Determining atom‐centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis

1990 • 4,537 citations

Atomic Structure of Acetylcholinesterase from Torpedo californica : A Prototypic Acetylcholine-Binding Protein

1991 • 2,613 citations

Steered molecular dynamics and mechanical functions of proteins

2001 • 1,002 citations

Quaternary ligand binding to aromatic residues in the active-site gorge of acetylcholinesterase.

1993 • 872 citations

Lecture notes in computational science and engineering

2010 • 822 citations

Structure of acetylcholinesterase complexed with E2020 (Aricept®): implications for the design of new anti-Alzheimer drugs

1999 • 688 citations

The Cholinesterases: From Genes to Proteins

1994 • 650 citations

A molecular dynamics study of the decane/water interface

1993 • 411 citations

Steered Molecular Dynamics

1999 • 406 citations

The X-ray Structure of a Transition State Analog Complex Reveals the Molecular Origins of the Catalytic Power and Substrate Specificity of Acetylcholinesterase

1996 • 360 citations

Synthesis and Structure-Activity Relationships of Acetylcholinesterase Inhibitors: 1-Benzyl-4-[(5,6-dimethoxy-1-oxoindan-2-yl)methyl]piperidine Hydrochloride and Related Compounds

1995 • 323 citations

Open "Back Door" in a Molecular Dynamics Simulation of Acetylcholinesterase

1994 • 259 citations

Impact-Induced Cleaving and Melting of Alkali-Halide Nanocrystals

1991 • 177 citations

Structure and dynamics of the active site gorge of acetylcholinesterase: Synergistic use of molecular dynamics simulation and X‐ray crystallography

1994 • 170 citations

Tacrine

1995 • 168 citations

Active-site gorge and buried water molecules in crystal structures of acetylcholinesterase from Torpedo californica 1 1Edited by R. Huber

2000 • 141 citations

Suppression of Ras-Induced Transformation of NIH 3T3 Cells by Activated Gα S

1994 • 139 citations

Molecular Dynamics of Acetylcholinesterase

2002 • 128 citations

Physostigmine, tacrine and metrifonate: The effect of multiple doses on acetylcholine metabolism in rat brain

1989 • 103 citations

The effect of the selective reversible acetylcholinesterase inhibitor E2020 on extracellular acetylcholine and biogenic amine levels in rat cortex

1996 • 93 citations

Donepezil dose-dependently inhibits acetylcholinesterase activity in various areas and in the presynaptic cholinergic and the postsynaptic cholinoceptive enzyme-positive structures in the human and rat brain

2000 • 88 citations

A Modular Treatment of Molecular Traffic Through the Active Site of Cholinesterase

1999 • 59 citations

Properties of Water Molecules in the Active Site Gorge of Acetylcholinesterase from Computer Simulation

2002 • 54 citations

Galanthamine as bis -functional ligand for the acetylcholinesterase

2002 • 25 citations

Chimeric Human Cholinesterase

1993 • 21 citations

From the Food and Drug Administration

1997 • 21 citations

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Dynamic Mechanism of E2020 Binding to Acetylcholinesterase: A Steered Molecular Dynamics… (2005) – The Journal of Physical Chemistry B | Metascience Observatory Explorer