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Citing Papers
RNA polymerase II trigger loop residues stabilize and position the incoming nucleotide triphosphate in transcription
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A surface constrained all-atom solvent model for effective simulations of polar solutions
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Converting conformational changes to electrostatic energy in molecular motors: The energetics of ATP synthase
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Effective pair potentials and the properties of water
1989
Dynamical model of the liquid-glass transition
1984
Simulation of enzyme reactions using valence bond force fields and other hybrid quantum/classical approaches
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1983
Fast Parallel Algorithms for Short-Range Molecular Dynamics
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A smooth particle mesh Ewald method
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Works of Sidney Yip being referenced
Topological features of structural relaxations in a two-dimensional model atomic glass II
1989
Simulation of plastic deformation in a two-dimensional atomic glass by molecular dynamics IV
1989
A molecular dynamics model of melting and glass transition in an idealized two-dimensional material I
1989
Correlation functions of the hard-sphere Lorentz model
1981
Mechanism of Thermal Transport in Dilute Nanocolloids
2007
Atomistic mechanisms governing elastic limit and incipient plasticity in crystals
2002 Nature
Single-kink dynamics in a one-dimensional atomic chain: A nonlinear atomistic theory and numerical simulation
1983
Quasiatomic orbitals forab initiotight-binding analysis
2008
Molecular dynamics simulation of dielectric properties of water
1987
Mechanics of Ultra-Strength Materials
2009
Atomistic simulation of defect-induced amorphization of binary lattices
1989
Molecular dynamics study of lattice kink diffusion
1984
Molecular dynamics simulation of crack tip processes in alpha-iron and copper
1983
Dynamical correlations in dense metastable fluids
1989
Ideal crystal stability and pressure-induced phase transition in silicon
1994
Computer molecular-dynamics studies of grain-boundary structures. I. Observations of coupled sliding and migration in a three-dimensional simulation
1982
Atomistic modeling of finite-temperature properties of crystalline β-SiC
1998
Molecular-dynamics studies of grain-boundary diffusion. I. Structural properties and mobility of point defects
1984
Computing the viscosity of supercooled liquids
2009
Mechanical instabilities of homogeneous crystals
1995
Grain-Boundary Melting Transition in an Atomistic Simulation Model
1986
Mapping plasticity
2004
Diffusion and localization in the two-dimensional Lorentz model
1982
Connecting atomistic and mesoscale simulations of crystal plasticity
1998 Nature
Ideal Pure Shear Strength of Aluminum and Copper
2002 Science
Activation analysis of dislocation nucleation from crack tip in α-Fe
1991
Highly localized quasiatomic minimal basis orbitals for Mo fromab initiocalculations
2007
Atomic-Scale Mechanism of Crack-Tip Plasticity: Dislocation Nucleation and Crack-Tip Shielding
1997
Moments of the Momentum Density Correlation Functions in Simple Liquids
1968
Molecular dynamics investigations of slow relaxations in supercooled liquids
1995
Calculating phase-coherent quantum transport in nanoelectronics withab initioquasiatomic orbital basis set
2010
Molecular-dynamics studies of grain-boundary diffusion. II. Vacancy migration, diffusion mechanism, and kinetics
1984
Atomic modes of dislocation mobility in silicon
1995
Dynamical Transition in a Dense Fluid Approaching Structural Arrest
1985
Brittle-ductile transition in intrinsic fracture behavior of crystals
1990
Theoretical evaluation of hydrogen storage capacity in pure carbon nanostructures
2003
Intrinsic Mobility of a Dissociated Dislocation in Silicon
2000
Atomistic modeling of finite-temperature properties of β-SiC. I. Lattice vibrations, heat capacity, and thermal expansion
1997
Effects of correlated collisions on atomic diffusion in a hard-sphere fluid
1976
Molecular dynamics simulation of hydrocarbon molecules in condensed phases. II. Benzene
1987
Atomic Size Effects in Pressure-Induced Amorphization of a Binary Covalent Lattice
1995
Observation of finite-temperature bain transformation (f.c.c. →r b.c.c.) in Monte Carlo simulation of iron
1983
The neutron scattering function for hard spheres
1983
Atomic-level stress in an inhomogeneous system
1991
A realistic molecular model of cement hydrates
2009
Quantifying the early stages of plasticity through nanoscale experiments and simulations
2003
Ideal shear strain of metals and ceramics
2004
Crystal instabilities at finite strain
1993
Molecular-dynamics study of lattice-defect-nucleated melting in silicon
1989
Dynamical theory of diffusion and localization in a random, static field
1981
The strongest size
1998 Nature