ESES: Software for Eulerian solvent excluded surface (Q48022565)

7 February 2018

title

ESES: Software for Eulerian solvent excluded surface (English)

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7 February 2018

author name string

Beibei Liu

1

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Bao Wang

2

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Rundong Zhao

3

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Yiying Tong

4

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Guo-Wei Wei

5

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publication date

4 January 2017

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7 February 2018

Journal of Computational Chemistry

published in

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volume

38

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issue

7

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page(s)

446-466

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Electrostatic interactions in macromolecules: theory and applications

cites work

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Classical electrostatics in biology and chemistry

21 January 2018

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21 January 2018

Implicit solvent models

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The Poisson-Boltzmann equation for biomolecular electrostatics: a tool for structural biology

21 January 2018

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Generalized born models of macromolecular solvation effects

21 January 2018

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Effective Born radii in the generalized Born approximation: the importance of being perfect

21 January 2018

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The SGB/NP hydration free energy model based on the surface generalized born solvent reaction field and novel nonpolar hydration free energy estimators

21 January 2018

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A lattice relaxation algorithm for three-dimensional Poisson-Nernst-Planck theory with application to ion transport through the gramicidin A channel.

21 January 2018

1 reference

Three-dimensional Poisson-Nernst-Planck theory studies: influence of membrane electrostatics on gramicidin A channel conductance

21 January 2018

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Poisson-Boltzmann-Nernst-Planck model

21 January 2018

1 reference

Second-order Poisson Nernst-Planck solver for ion channel transport

21 January 2018

1 reference

Explicit ion, implicit water solvation for molecular dynamics of nucleic acids and highly charged molecules

21 January 2018

1 reference

Multiscale molecular dynamics using the matched interface and boundary method

21 January 2018

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GRASP2: visualization, surface properties, and electrostatics of macromolecular structures and sequences

21 January 2018

1 reference

Areas, volumes, packing and protein structure

21 January 2018

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The interpretation of protein structures: Estimation of static accessibility

21 January 2018

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Analytical molecular surface calculation

21 January 2018

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SIMS: computation of a smooth invariant molecular surface

21 January 2018

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Rapid grid-based construction of the molecular surface and the use of induced surface charge to calculate reaction field energies: applications to the molecular systems and geometric objects

21 January 2018

1 reference

A Generalization of Algebraic Surface Drawing

21 January 2018

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Shape analysis of molecular surfaces

21 January 2018

1 reference

Biomolecular surface construction by PDE transform

21 January 2018

1 reference

Feature-preserving adaptive mesh generation for molecular shape modeling and simulation

21 January 2018

1 reference

TMSmesh: A Robust Method for Molecular Surface Mesh Generation Using a Trace Technique

21 January 2018

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Multiscale multiphysics and multidomain models--flexibility and rigidity.

21 January 2018

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Fast and anisotropic flexibility-rigidity index for protein flexibility and fluctuation analysis

21 January 2018

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A general and robust ray-casting-based algorithm for triangulating surfaces at the nanoscale.

21 January 2018

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Minimal molecular surfaces and their applications.

21 January 2018

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Geometric and potential driving formation and evolution of biomolecular surfaces.

21 January 2018

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Differential geometry based multiscale models

21 January 2018

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Differential geometry based solvation model I: Eulerian formulation

21 January 2018

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Differential geometry based solvation model II: Lagrangian formulation

21 January 2018

1 reference

Variational approach for nonpolar solvation analysis

21 January 2018

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Quantum dynamics in continuum for proton transport II: Variational solvent-solute interface

21 January 2018

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Quantum dynamics in continuum for proton transport--generalized correlation

21 January 2018

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Parameter optimization in differential geometry based solvation models

21 January 2018

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Treatment of charge singularities in implicit solvent models.

21 January 2018

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Treatment of geometric singularities in implicit solvent models.

21 January 2018

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Highly accurate biomolecular electrostatics in continuum dielectric environments.

21 January 2018

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Interactive visualization of molecular surface dynamics.

21 January 2018

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Reducing grid-dependence in finite-difference Poisson-Boltzmann calculations

21 January 2018

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Multiscale geometric modeling of macromolecules II: Lagrangian representation.

21 January 2018

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Voronoi diagrams---a survey of a fundamental geometric data structure

21 January 2018

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Persistent homology for the quantitative prediction of fullerene stability.

21 January 2018

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Object-oriented Persistent Homology

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1002/JCC.24682

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7 February 2018

DBLP publication ID

journals/jcc/LiuWZTW17

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DBLP Dataset 2021-01-02

release_murkxd4s7rcmjnzdkgulcjug2m

28 January 2021

Fatcat ID

0 references

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7 February 2018