Differential geometry based solvation model II: Lagrangian formulation (Q35041180)

6 August 2017

title

Differential geometry based solvation model II: Lagrangian formulation (English)

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6 August 2017

2

1 reference

6 August 2017

Zhan Chen

1

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6 August 2017

G W Wei

series ordinal

3

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6 August 2017

publication date

30 January 2011

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6 August 2017

number of pages

62

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Journal of Mathematical Biology

inferred from page(s)

published in

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6 August 2017

volume

63

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6 August 2017

issue

6

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6 August 2017

page(s)

1139-1200

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maintained by WikiProject

6 August 2017

WikiProject Mathematics

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Classical electrostatics in biology and chemistry

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Treatment of charge singularities in implicit solvent models

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The Gaussian Generalized Born model: application to small molecules.

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Shape and stability of two-dimensional lipid domains with dipole-dipole interactions

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The determinants of carboxyl pKa values in turkey ovomucoid third domain

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A computational algorithm for minimizing total variation in image restoration.

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Functionally Linked Hydration Changes in Escherichia coli Aspartate Transcarbamylase and Its Catalytic Subunit

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A Poisson–Boltzmann dynamics method with nonperiodic boundary condition

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Accelerated Poisson-Boltzmann calculations for static and dynamic systems

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An accurate prediction of hydration free energies by combination of molecular integral equations theory with structural descriptors

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21 January 2018

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https://api.crossref.org/works/10.1007%2FS00285-011-0402-Z

Calculation of pKas in RNA: on the structural origins and functional roles of protonated nucleotides

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00285-011-0402-Z

Selective Na(+)/K(+) effects on the formation of α-cyclodextrin complexes with aromatic carboxylic acids: competition for the guest

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00285-011-0402-Z

GBr6NL: a generalized Born method for accurately reproducing solvation energy of the nonlinear Poisson-Boltzmann equation

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00285-011-0402-Z

Quantum mechanical continuum solvation models.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00285-011-0402-Z

ISIM: A Program for Grand Canonical Monte Carlo Simulations of the Ionic Environment of Biomolecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00285-011-0402-Z

Electrostatic effects in macromolecules: fundamental concepts and practical modeling

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00285-011-0402-Z

Differential geometry based multiscale models

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00285-011-0402-Z

Molecular mechanics PBSA ligand binding energy and interaction of Efavirenz derivatives with HIV-1 reverse transcriptase

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00285-011-0402-Z

Treatment of geometric singularities in implicit solvent models

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00285-011-0402-Z

Highly accurate biomolecular electrostatics in continuum dielectric environments

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00285-011-0402-Z

Finite-difference solution of the Poisson-Boltzmann equation: Complete elimination of self-energy

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00285-011-0402-Z

Redox entropy of plastocyanin: developing a microscopic view of mesoscopic polar solvation

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3113640

Application of the level-set method to the implicit solvation of nonpolar molecules

25 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3113640

A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution

25 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3113640

Limitations of atom-centered dielectric functions in implicit solvent models

25 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3113640

Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian Dynamics program

25 October 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00285-011-0402-Z

Improved Efficiency of Replica Exchange Simulations through Use of a Hybrid Explicit/Implicit Solvation Model

21 January 2018

1 reference

12 December 2020

Bending energy of vesicle membranes: General expressions for the first, second, and third variation of the shape energy and applications to spheres and cylinders

1 reference

12 December 2020

Absorption classification of oral drugs based on molecular surface properties

1 reference

12 December 2020

Inter-DNA electrostatics from explicit solvent molecular dynamics simulations

1 reference

12 December 2020

DNA binding and bending by HMG boxes: energetic determinants of specificity

1 reference

12 December 2020

On the calculation of pKas in proteins

1 reference

12 December 2020

Solvent density inhomogeneities and solvation free energies in supercritical diatomic fluids: a density functional approach

1 reference

12 December 2020

Comparative study of generalized born models: Born radii and peptide folding

1 reference

12 December 2020

Calculation of the electric potential in the active site cleft due to alpha-helix dipoles

1 reference

12 December 2020

The minimum energy of bending as a possible explanation of the biconcave shape of the human red blood cell

1 reference

12 December 2020

Hybrid Hamiltonian replica exchange molecular dynamics simulation method employing the Poisson-Boltzmann model

1 reference

12 December 2020

Conservation of electrostatic properties within enzyme families and superfamilies

1 reference

12 December 2020

Efficient and precise solvation free energies via alchemical adiabatic molecular dynamics

1 reference

12 December 2020

Coupling hydrophobicity, dispersion, and electrostatics in continuum solvent models

1 reference

12 December 2020

Improving macromolecular electrostatics calculations

1 reference

12 December 2020

10.1007/S00285-011-0402-Z

Identifiers

DOI

1 reference

6 August 2017

1 reference

6 August 2017

1 reference