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Quantifying Artifacts in Ewald Simulations of Inhomogeneous Systems with a Net Charge

https://doi.org/10.1021/ct400626b
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Every reference with a DOI in the deposited reference list resolved to a known work in Crossref or DataCite at the dated check, and none carried a retraction, withdrawal, or removal notice.

2 without a DOI — not checked. A reference deposited without a DOI is never matched by title or guessed at; it stays outside the checked set, and this line discloses that.

The 48 checked references that resolve
resolves10.1038/260679a0
Bicycle-pedal model for the first step in the vision process
resolves10.1038/262325a0
The hinge-bending mode in lysozyme
resolves10.1126/science.1208351
How Fast-Folding Proteins Fold
resolves10.1126/science.1157092
Recognition Dynamics Up to Microseconds Revealed from an RDC-Derived Ubiquitin Ensemble in Solution
resolves10.1002/andp.19213690304
Die Berechnung optischer und elektrostatischer Gitterpotentiale
resolves10.1063/1.477414
How to mesh up Ewald sums. I. A theoretical and numerical comparison of various particle mesh routines
resolves10.1146/annurev.biophys.28.1.155
MOLECULAR DYNAMICS SIMULATIONS OF BIOMOLECULES: Long-Range Electrostatic Effects
resolves10.1016/0378-4371(81)90031-5
Computer simulation of ionic systems. Influence of boundary conditions
resolves10.1080/00268978800101471
An algorithm for the simulation of condensed matter which grows as the 3/2 power of the number of particles
resolves10.1063/1.464397
Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems
resolves10.1063/1.470117
A smooth particle mesh Ewald method
resolves10.1063/1.467576
The fast Fourier Poisson method for calculating Ewald sums
resolves10.1063/1.1324708
Efficient particle-mesh Ewald based approach to fixed and induced dipolar interactions
resolves10.1063/1.1630791
Towards an accurate representation of electrostatics in classical force fields: Efficient implementation of multipolar interactions in biomolecular simulations
resolves10.1021/ct049941i
An Efficient Linear-Scaling Ewald Method for Long-Range Electrostatic Interactions in Combined QM/MM Calculations
resolves10.1063/1.3694829
Ewald mesh method for quantum mechanical calculations
resolves10.1038/324446a0
A hierarchical O(N log N) force-calculation algorithm
resolves10.1016/0021-9991(87)90140-9
A fast algorithm for particle simulations
resolves10.1063/1.1836733
Isotropic periodic sum: A method for the calculation of long-range interactions
resolves10.1063/1.470721
On finite-size effects in computer simulations using the Ewald potential
resolves10.1063/1.3216473
Simulations of non-neutral slab systems with long-range electrostatic interactions in two-dimensional periodic boundary conditions
resolves10.1007/BF01011562
On the energy per particle in three- and two-dimensional Wigner lattices
resolves10.1063/1.476320
Removal of pressure and free energy artifacts in charged periodic systems via net charge corrections to the Ewald potential
resolves10.1021/jp951011v
Free Energy of Ionic Hydration
resolves10.1021/jp970882x
On Finite-Size Corrections to the Free Energy of Ionic Hydration
resolves10.1063/1.475219
Ion sizes and finite-size corrections for ionic-solvation free energies
resolves10.1021/jp982195r
Molecular Theories and Simulation of Ions and Polar Molecules in Water
resolves10.1021/jp9808227
Continuum Corrections to the Polarization and Thermodynamic Properties of Ewald Sum Simulations for Ions and Ion Pairs at Infinite Dilution
resolves10.1063/1.477873
Ewald artifacts in computer simulations of ionic solvation and ion–ion interaction: A continuum electrostatics study
resolves10.1016/S0301-4622(99)00007-1
Effect of artificial periodicity in simulations of biomolecules under Ewald boundary conditions: a continuum electrostatics study
resolves10.1021/jp0350924
Influence of Artificial Periodicity and Ionic Strength in Molecular Dynamics Simulations of Charged Biomolecules Employing Lattice-Sum Methods
resolves10.1073/pnas.0706574105
Molecular dynamics simulations suggest a mechanism for translocation of the HIV-1 TAT peptide across lipid membranes
resolves10.1016/0009-2614(74)80109-0
Monte Carlo free energy estimates using non-Boltzmann sampling: Application to the sub-critical Lennard-Jones fluid
resolves10.1073/pnas.0707662104
Mechanism of selectivity in aquaporins and aquaglyceroporins
resolves10.1063/1.445869
Comparison of simple potential functions for simulating liquid water
resolves10.1016/S0006-3495(97)78845-3
Molecular dynamics simulations of a fluid bilayer of dipalmitoylphosphatidylcholine at full hydration, constant pressure, and constant temperature
resolves10.1021/ct700301q
GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
resolves10.1002/jcc.540130805
Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models
resolves10.1021/ct700200b
P-LINCS:  A Parallel Linear Constraint Solver for Molecular Simulation
resolves10.1080/00268978400101201
A molecular dynamics method for simulations in the canonical ensemble
resolves10.1103/PhysRevA.31.1695
Canonical dynamics: Equilibrium phase-space distributions
resolves10.1063/1.328693
Polymorphic transitions in single crystals: A new molecular dynamics method
resolves10.1002/jcc.540130812
THE weighted histogram analysis method for free‐energy calculations on biomolecules. I. The method
resolves10.1021/ct100494z
g_wham—A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates
resolves10.1063/1.1421362
Determining the shear viscosity of model liquids from molecular dynamics simulations
resolves10.1063/1.470490
Lattice-sum methods for calculating electrostatic interactions in molecular simulations
resolves10.1080/00268979300100751
Umbrella sampling molecular dynamics study of the dielectric constant of water
resolves10.1021/ct900565e
Accurate Estimates of Free Energy Changes in Charge Mutations
The 2 references without a DOI — listed, not checked
no DOI — not checkedAllen, M. P.; Tildesley, D. J.Computer Simulation of Liquids;Clarendon Press:Oxford, 1987, pp156–162.
no DOI — not checkedHockney, R. W.; Eastwood, J. W.Computer Simulation Using Particles;McGraw-Hill:New York, 1981, pp267–304.
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