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

6 August 2017

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

1 reference

6 August 2017

2

1 reference

6 August 2017

Zhan Chen

1

1 reference

PubMed ID

21279359

6 August 2017

G W Wei

series ordinal

3

1 reference

6 August 2017

30 January 2011

1 reference

6 August 2017

62

1 reference

Journal of Mathematical Biology

inferred from page(s)

published in

1 reference

6 August 2017

63

1 reference

6 August 2017

1139-1200

1 reference

6 August 2017

6

1 reference

PubMed ID

21279359

maintained by WikiProject

6 August 2017

WikiProject Mathematics

0 references

exact match

https://scigraph.springernature.com/pub.10.1007/s00285-011-0402-z

0 references

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Evaluation of ion binding to DNA duplexes using a size-modified Poisson-Boltzmann theory

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Continuum simulations of acetylcholine diffusion with reaction-determined boundaries in neuromuscular junction models

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8 July 2018

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An efficient hybrid explicit/implicit solvent method for biomolecular simulations

8 July 2018

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8 July 2018

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Recent advances in the development and application of implicit solvent models in biomolecule simulations

8 July 2018

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Finite element solution of the steady-state Smoluchowski equation for rate constant calculations

8 July 2018

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

8 July 2018

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Revisiting free energy calculations: a theoretical connection to MM/PBSA and direct calculation of the association free energy

8 July 2018

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8 July 2018

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8 July 2018

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Comparison of calculation and experiment implicates significant electrostatic contributions to the binding stability of barnase and barstar

8 July 2018

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

8 July 2018

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8 July 2018

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Combining conformational flexibility and continuum electrostatics for calculating pK(a)s in proteins

8 July 2018

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

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Electrostatic analysis and Brownian dynamics simulation of the association of plastocyanin and cytochrome f.

8 July 2018

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8 July 2018

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Macromolecular electrostatics: continuum models and their growing pains

8 July 2018

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8 July 2018

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Computer simulations of actin polymerization can explain the barbed-pointed end asymmetry

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8 July 2018

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Reduced surface: an efficient way to compute molecular surfaces

8 July 2018

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Classical electrostatics in biology and chemistry

8 July 2018

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A continuum model for protein-protein interactions: application to the docking problem.

8 July 2018

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The interpretation of protein structures: Estimation of static accessibility

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8 July 2018

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Hydrophobic effect in protein folding and other noncovalent processes involving proteins

8 July 2018

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pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model

8 July 2018

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Electrostatic interactions in macromolecules: theory and applications

8 July 2018

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Contribution to the thermodynamics of protein folding from the reduction in water-accessible nonpolar surface area.

8 July 2018

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22 Diffusion-controlled enzymatic reactions

8 July 2018

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The interdependence of protein surface topography and bound water molecules revealed by surface accessibility and fractal density measures

8 July 2018

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Areas, volumes, packing and protein structure

8 July 2018

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The determinants of pKas in proteins

8 July 2018

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Poisson–Boltzmann Methods for Biomolecular Electrostatics

21 January 2018

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Electrostatic free energy calculations using the generalized solvent boundary potential method

21 January 2018

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Geometric and potential driving formation and evolution of biomolecular surfaces.

21 January 2018

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Minimal molecular surfaces and their applications.

21 January 2018

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Classification of protein sequences by homology modeling and quantitative analysis of electrostatic similarity.

21 January 2018

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Color TV: total variation methods for restoration of vector-valued images

21 January 2018

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Hybrid boundary element and finite difference method for solving the nonlinear Poisson-Boltzmann equation.

21 January 2018

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Specific ion effects in solutions of globular proteins: comparison between analytical models and simulation.

21 January 2018

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21 January 2018

Geodesic Active Contours

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Polarizable continuum model with the fragment molecular orbital-based time-dependent density functional theory

21 January 2018

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Surfaces affect ion pairing

21 January 2018

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Analytical molecular surface calculation

21 January 2018

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Molecular Models of Amino Acids, Peptides, and Proteins

21 January 2018

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Cation-pi interactions in protein-protein interfaces

21 January 2018

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Edge transformations for improving mesh quality of marching cubes

21 January 2018

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Coupling nonpolar and polar solvation free energies in implicit solvent models

21 January 2018

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To switch or not to switch: the effects of potassium and sodium ions on alpha-poly-L-glutamate conformations in aqueous solutions.

21 January 2018

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AGBNP: an analytic implicit solvent model suitable for molecular dynamics simulations and high-resolution modeling.

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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Treatment of charge singularities in implicit solvent models.

21 January 2018

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The Gaussian Generalized Born model: application to small molecules.

21 January 2018

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

21 January 2018

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The determinants of carboxyl pKa values in turkey ovomucoid third domain

21 January 2018

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A computational algorithm for minimizing total variation in image restoration.

21 January 2018

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Functionally linked hydration changes in Escherichia coli aspartate transcarbamylase and its catalytic subunit.

21 January 2018

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A Poisson–Boltzmann dynamics method with nonperiodic boundary condition

21 January 2018

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Accelerated Poisson-Boltzmann calculations for static and dynamic systems

21 January 2018

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Noise removal using fourth-order partial differential equation with applications to medical magnetic resonance images in space and time.

21 January 2018

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Perspective on Foundations of Solvation Modeling: The Electrostatic Contribution to the Free Energy of Solvation

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

21 January 2018

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Anisotropic diffusion of multivalued images with applications to color filtering.

21 January 2018

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A general framework for low level vision

21 January 2018

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Benchmarking the Conductor-like Polarizable Continuum Model (CPCM) for Aqueous Solvation Free Energies of Neutral and Ionic Organic Molecules.

21 January 2018

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

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Treatment of geometric singularities in implicit solvent models.

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

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

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

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

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

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

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

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

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Conservation of electrostatic properties within enzyme families and superfamilies

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Efficient and precise solvation free energies via alchemical adiabatic molecular dynamics

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Identifiers

DOI

1 reference

6 August 2017

1 reference

6 August 2017

1 reference

PubMed ID

21279359