A Poisson–Boltzmann dynamics method with nonperiodic boundary condition (Q57275005)

On the calculation of electrostatic interactions in proteins.

21 January 2018

1 reference

Energetics of charge-charge interactions in proteins.

21 January 2018

1 reference

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

21 January 2018

1 reference

Family of G protein alpha chains: amphipathic analysis and predicted structure of functional domains

21 January 2018

1 reference

Theory of electrostatic interactions in macromolecules.

21 January 2018

1 reference

Modeling molecular recognition: theory and application

21 January 2018

1 reference

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

21 January 2018

1 reference

Nucleic acid base-pairing and N-methylacetamide self-association in chloroform: affinity and conformation.

21 January 2018

1 reference

Synthetic Adenine Receptors: Direct Calculation of Binding Affinity and Entropy

21 January 2018

1 reference

Protein folding and association: insights from the interfacial and thermodynamic properties of hydrocarbons

21 January 2018

1 reference

Accelerated Poisson-Boltzmann calculations for static and dynamic systems

21 January 2018

1 reference

Rapid grid-based construction of the molecular surface and the use of induced surface charge to calculate reaction field energies: applications to the molecular systems and geometric objects

21 January 2018

1 reference

Semianalytical treatment of solvation for molecular mechanics and dynamics

21 January 2018

1 reference

Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

21 January 2018

1 reference

21 January 2018

Implicit solvent models

1 reference

Areas, volumes, packing and protein structure

21 January 2018

1 reference

A Gaussian Description of Molecular Shape

21 January 2018

1 reference

The determinants of pKas in proteins

21 January 2018

1 reference

On the pH dependence of protein stability.

21 January 2018

1 reference

Conformation and hydrogen ion titration of proteins: a continuum electrostatic model with conformational flexibility

21 January 2018

1 reference

Incorporating protein conformational flexibility into the calculation of pH-dependent protein properties

21 January 2018

1 reference

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

21 January 2018

1 reference

Free energy calculations on dimer stability of the HIV protease using molecular dynamics and a continuum solvent model

21 January 2018

1 reference

Generalized born models of macromolecular solvation effects

21 January 2018

1 reference

Treatment of electrostatic effects in proteins: multigrid-based Newton iterative method for solution of the full nonlinear Poisson-Boltzmann equation.

21 January 2018

1 reference

Protein molecular dynamics with electrostatic force entirely determined by a single Poisson-Boltzmann calculation

21 January 2018

1 reference

Macromolecular electrostatic energy within the nonlinear Poisson–Boltzmann equation

21 January 2018

1 reference

Fast Boundary Element Method for the Linear Poisson−Boltzmann Equation

21 January 2018

1 reference