(Q36301793)

English

Accurate solution of multi-region continuum biomolecule electrostatic problems using the linearized Poisson-Boltzmann equation with curved boundary elements.

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scholarly article

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Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18567005%20AND%20SRC:MED&resulttype=core&format=json

9 January 2020

Accurate solution of multi-region continuum biomolecule electrostatic problems using the linearized Poisson-Boltzmann equation with curved boundary elements (English)

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18567005%20AND%20SRC:MED&resulttype=core&format=json

9 January 2020

4

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18567005%20AND%20SRC:MED&resulttype=core&format=json

9 January 2020

author name string

Michael D Altman

1

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18567005%20AND%20SRC:MED&resulttype=core&format=json

9 January 2020

Jaydeep P Bardhan

2

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18567005%20AND%20SRC:MED&resulttype=core&format=json

9 January 2020

Jacob K White

3

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18567005%20AND%20SRC:MED&resulttype=core&format=json

9 January 2020

publication date

1 January 2009

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Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18567005%20AND%20SRC:MED&resulttype=core&format=json

9 January 2020

Journal of Computational Chemistry

1 reference

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PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18567005%20AND%20SRC:MED&resulttype=core&format=json

9 January 2020

30

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Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18567005%20AND%20SRC:MED&resulttype=core&format=json

9 January 2020

1

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18567005%20AND%20SRC:MED&resulttype=core&format=json

9 January 2020

132-153

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18567005%20AND%20SRC:MED&resulttype=core&format=json

9 January 2020

All-atom empirical potential for molecular modeling and dynamics studies of proteins

1 reference

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Numerical integration techniques for curved-element discretizations of molecule-solvent interfaces.

1 reference

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Order N algorithm for computation of electrostatic interactions in biomolecular systems

1 reference

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Implicit solvent models

1 reference

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How optimal are the binding energetics of barnase and barstar?

1 reference

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

1 reference

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A simple physical model for binding energy hot spots in protein-protein complexes

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Combinatorial protein design

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What are the dielectric "constants" of proteins and how to validate electrostatic models?

1 reference

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Macromolecular electrostatics: continuum models and their growing pains

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30 September 2017

Optimization of binding electrostatics: charge complementarity in the barnase-barstar protein complex.

1 reference

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30 September 2017

High apparent dielectric constants in the interior of a protein reflect water penetration

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How does a symmetric dimer recognize an asymmetric substrate? A substrate complex of HIV-1 protease

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Electrostatic interactions in the GCN4 leucine zipper: substantial contributions arise from intramolecular interactions enhanced on binding

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Computational protein design

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30 September 2017

The effect of protein relaxation on charge-charge interactions and dielectric constants of proteins

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Computation of molecular electrostatics with boundary element methods

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Protein design automation

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30 September 2017

Boundary element solution of macromolecular electrostatics: interaction energy between two proteins

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Protein-protein recognition: crystal structural analysis of a barnase-barstar complex at 2.0-A resolution

1 reference

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Classical electrostatics in biology and chemistry

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Solvent-accessible surfaces of proteins and nucleic acids

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The interpretation of protein structures: Estimation of static accessibility

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Calculation of the total electrostatic energy of a macromolecular system: solvation energies, binding energies, and conformational analysis

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Electrostatic interactions in macromolecules: theory and applications

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Areas, volumes, packing and protein structure

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On the role of electrostatic interactions in the design of protein-protein interfaces

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22 September 2018

Solution of the linearized Poisson-Boltzmann equation.

1 reference

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Validation and use of the MM-PBSA approach for drug discovery

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1 reference

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1 reference

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12 December 2020

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Thermodynamics of the interaction of barnase and barstar: changes in free energy versus changes in enthalpy on mutation

1 reference

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based on heuristic

inferred from PubMed ID database lookup

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1 reference

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Identifiers

10.1002/JCC.21027

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18567005%20AND%20SRC:MED&resulttype=core&format=json

9 January 2020

DBLP publication ID

journals/jcc/AltmanBWT09

1 reference

DBLP Dataset 2021-01-02

28 January 2021

PMC publication ID

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18567005%20AND%20SRC:MED&resulttype=core&format=json

9 January 2020

PubMed publication ID

1 reference

Europe PubMed Central

PMC publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18567005%20AND%20SRC:MED&resulttype=core&format=json

9 January 2020

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