(Q41097960)

26 September 2017

Level-Set Variational Implicit-Solvent Modeling of Biomolecules with the Coulomb-Field Approximation (English)

1 reference

26 September 2017

6

J Andrew McCammon

1 reference

26 September 2017

4

Joachim Dzubiella

1 reference

26 September 2017

5

Bo Li

1 reference

26 September 2017

Zhongming Wang

1

1 reference

26 September 2017

Jianwei Che

series ordinal

2

1 reference

26 September 2017

Li-Tien Cheng

series ordinal

3

1 reference

26 September 2017

19 December 2011

1 reference

Journal of Chemical Theory and Computation

26 September 2017

1 reference

26 September 2017

8

1 reference

26 September 2017

2

1 reference

26 September 2017

386-397

1 reference

Dielectric Boundary Force in Molecular Solvation with the Poisson-Boltzmann Free Energy: A Shape Derivative Approach

26 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3278970

Yukawa-Field Approximation of Electrostatic Free Energy and Dielectric Boundary Force

26 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3278970

Level-Set Minimization of Potential Controlled Hadwiger Valuations for Molecular Solvation

26 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3278970

Mean-field description of ionic size effects with nonuniform ionic sizes: a numerical approach

26 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3278970

Hydrophobic interactions in model enclosures from small to large length scales: non-additivity in explicit and implicit solvent models

26 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3278970

Differential geometry based solvation model I: Eulerian formulation

26 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3278970

Coupling the Level-Set Method with Molecular Mechanics for Variational Implicit Solvation of Nonpolar Molecules

26 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3278970

Interfaces and hydrophobic interactions in receptor-ligand systems: A level-set variational implicit solvent approach

26 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3278970

Dewetting and hydrophobic interaction in physical and biological systems

26 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3278970

Recent advances in implicit solvent-based methods for biomolecular simulations

26 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3278970

The dewetting transition and the hydrophobic effect.

26 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3278970

Critical importance of length-scale dependence in implicit modeling of hydrophobic interactions

26 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3278970

26 September 2017

Implicit solvent models

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3278970

Assessing implicit models for nonpolar mean solvation forces: the importance of dispersion and volume terms

26 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3278970

Balancing solvation and intramolecular interactions: toward a consistent generalized Born force field

26 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3278970

Interfaces and the driving force of hydrophobic assembly

26 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3278970

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

26 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3278970

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

26 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3278970

Electrostatics of nanosystems: application to microtubules and the ribosome

26 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3278970

Generalized born models of macromolecular solvation effects

26 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3278970

The interpretation of protein structures: Estimation of static accessibility

26 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3278970

Areas, volumes, packing and protein structure

26 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3278970

The molecular surface package

26 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3278970

Solvent accessible surface area and excluded volume in proteins. Analytical equations for overlapping spheres and implications for the hydrophobic effect.

14 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3278970

Computational probe of cavitation events in protein systems

14 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3278970

Geometric and potential driving formation and evolution of biomolecular surfaces.

19 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3278970

Electrostatic free energy and its variations in implicit solvent models.

19 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3278970

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

19 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3278970

Coupling nonpolar and polar solvation free energies in implicit solvent models

19 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3278970

Hydrophobic collapse in multidomain protein folding

19 August 2018

1 reference

12 December 2020

On the mechanism of hydrophobic association of nanoscopic solutes

1 reference

12 December 2020

Temperature dependence of the hydrophobic hydration and interaction of simple solutes: an examination of five popular water models

1 reference

12 December 2020

Nanoscale hydrophobic interaction and nanobubble nucleation

1 reference

12 December 2020

Dewetting-controlled binding of ligands to hydrophobic pockets

1 reference

12 December 2020

Coupling hydrophobicity, dispersion, and electrostatics in continuum solvent models

1 reference

12 December 2020

Rational design of ion force fields based on thermodynamic solvation properties

1 reference

12 December 2020

Identifiers

DOI

10.1021/CT200647J

1 reference

26 September 2017

1 reference

26 September 2017

PubMed publication ID

22346739

1 reference