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2018

2018

We develop a new effective approximation of the Mori-Zwanzig equation based on operator series expansions of the orthogonal… Expand

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2013

Highly Cited

2013

The interplay between interference effects and electron-electron interactions in electron transport through an interacting double… Expand

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2011

2010

2010

A modification of the MM-PBSA technique for calculating binding affinities of biomolecular complexes is presented. Classical… Expand

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Highly Cited

2003

Highly Cited

2003

We consider the accuracy of several methods for combining forward and reverse free-energy perturbation averages for two systems… Expand

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Highly Cited

2001

Highly Cited

2001

We examine issues involved in applying and interpreting free-energy perturbation (FEP) calculations in molecular simulation, with… Expand

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Highly Cited

2001

Highly Cited

2001

We examine issues involved in applying and interpreting free-energy perturbation (FEP) calculations in molecular simulation. We… Expand

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Highly Cited

1998

Highly Cited

1998

Abstract We examine the performance of free-energy perturbation methods when applied to compute the chemical potential of the… Expand

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Highly Cited

1997

Highly Cited

1997

Monte Carlo computer simulations have been performed in conjunction with free-energy perturbation calculations to determine the… Expand

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Highly Cited

1990

Highly Cited

1990

A formalism for a computational treatment of the polarization of a solvent containing an electrolyte and of polar solutes… Expand

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