Poisson-Boltzmann Calculations: van der Waals or Molecular Surface?

Rationalizing 5000-Fold Differences in Receptor-Binding Rate Constants of Four Cytokines

(2011) Xiaodong Pang et al.   BIOPHYSICAL JOURNAL

Modeling aqueous solvation with semi-explicit assembly

(2011) C. J. Fennell et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Electrostatics in proteins and protein–ligand complexes

(2010) Predrag Kukić et al.   Future Medicinal Chemistry

Reducing the Secondary Structure Bias in the Generalized Born Model via R6 Effective Radii

(2010) Boris Aguilar et al.   Journal of Chemical Theory and Computation

Differential geometry based solvation model I: Eulerian formulation

(2010) Zhan Chen et al.   JOURNAL OF COMPUTATIONAL PHYSICS

Desolvation Costs of Salt Bridges across Protein Binding Interfaces: Similarities and Differences between Implicit and Explicit Solvent Models

(2010) Reza Salari et al.   Journal of Physical Chemistry Letters

Fundamental Aspects of Protein−Protein Association Kinetics

(2009) G. Schreiber et al.   CHEMICAL REVIEWS

The AGBNP2 Implicit Solvation Model

(2009) Emilio Gallicchio et al.   Journal of Chemical Theory and Computation

Dissection of the high rate constant for the binding of a ribotoxin to the ribosome

(2009) S. Qin et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Recent advances in implicit solvent-based methods for biomolecular simulations

(2008) Jianhan Chen et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

On the Dielectric Boundary in Poisson−Boltzmann Calculations

(2008) Harianto Tjong et al.   Journal of Chemical Theory and Computation

Continuum molecular electrostatics, salt effects, and counterion binding—A review of the Poisson–Boltzmann theory and its modifications

(2007) Paweł Grochowski et al.   BIOPOLYMERS

Prediction of Salt and Mutational Effects on the Association Rate of U1A Protein and U1 Small Nuclear RNA Stem/Loop II†

(2007) Sanbo Qin et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Electrostatic rate enhancement and transient complex of protein–protein association

(2007) Ramzi Alsallaq et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS