(Q44918884)

7 December 2017

title

Analytical electrostatics for biomolecules: beyond the generalized Born approximation (English)

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ORCID Public Data File 2021

7 December 2017

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author name string

Grigori Sigalov

series ordinal

1

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7 December 2017

Andrew Fenley

series ordinal

2

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7 December 2017

Alexey Onufriev

series ordinal

3

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7 December 2017

language of work or name

English

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publication date

1 March 2006

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Journal of Chemical Physics

7 December 2017

published in

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7 December 2017

volume

124

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7 December 2017

issue

12

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7 December 2017

page(s)

124902

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Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics

7 December 2017

cites work

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Classical electrostatics in biology and chemistry

21 January 2018

1 reference

Calculations of proton-binding thermodynamics in proteins

21 January 2018

1 reference

Theory of electrostatic interactions in macromolecules.

21 January 2018

1 reference

Calculating the electrostatic properties of RNA provides new insights into molecular interactions and function

21 January 2018

1 reference

Accelerated Poisson-Boltzmann calculations for static and dynamic systems

21 January 2018

1 reference

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

21 January 2018

1 reference

Empirical force fields for biological macromolecules: overview and issues.

21 January 2018

1 reference

Improving implicit solvent simulations: a Poisson-centric view

21 January 2018

1 reference

Generalized born models of macromolecular solvation effects

21 January 2018

1 reference

Free energy surfaces of beta-hairpin and alpha-helical peptides generated by replica exchange molecular dynamics with the AGBNP implicit solvent model

21 January 2018

1 reference

Exploring protein native states and large-scale conformational changes with a modified generalized born model

21 January 2018

1 reference

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

21 January 2018

1 reference

All-Atom Structure Prediction and Folding Simulations of a Stable Protein

21 January 2018

1 reference

Simulation of the folding equilibrium of α-helical peptides: A comparison of the generalized Born approximation with explicit solvent

21 January 2018

1 reference

Distinguish protein decoys by using a scoring function based on a new AMBER force field, short molecular dynamics simulations, and the generalized born solvent model

21 January 2018

1 reference

Virtual ligand screening against Escherichia coli dihydrofolate reductase: improving docking enrichment using physics-based methods

21 January 2018

1 reference

Incorporating variable dielectric environments into the generalized Born model

21 January 2018

1 reference

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

21 January 2018

1 reference

Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures

21 January 2018

1 reference

The Amber biomolecular simulation programs

21 January 2018

1 reference

Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models

21 January 2018

1 reference

Assessing scoring functions for protein-ligand interactions

21 January 2018

1 reference

Converging free energy estimates: MM-PB(GB)SA studies on the protein-protein complex Ras-Raf.

21 January 2018

1 reference

Semianalytical treatment of solvation for molecular mechanics and dynamics

21 January 2018

1 reference

Pairwise solute descreening of solute charges from a dielectric medium

21 January 2018

1 reference

Parametrized Models of Aqueous Free Energies of Solvation Based on Pairwise Descreening of Solute Atomic Charges from a Dielectric Medium

21 January 2018

1 reference

Protein molecular dynamics with the generalized born/ACE solvent model

21 January 2018

1 reference

Implicit solvent models for flexible protein-protein docking by molecular dynamics simulation

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.2177251

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7 December 2017

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