Chapter 4 is a thorough discussion of the theoretical underpinnings of the widely‐used
Poisson–Boltzmann (PB) equation. The tutorial is divided into four parts, the first of which is …

Earning tenure at an academic institution and running a steeplechase race successfully
have a lot in common. Both require extensive training before the event begins, both involve …

Abstract Preface; 1. Introduction; 2. Macromolecular stability; 3. Lattice dynamics; 4. Effective
phonon theory; 5. Premelting disrupted chemical bonds; 6. Co-operative melting; 7. Strained …

The pair and triplet correlations of a restricted primitive model (RPM) description of aqueous
NaC1 solutions have been computed in the concentration regime 0.5-4 M via Monte Carlo …

In this paper, the finite difference nonlinear Poisson− Boltzmann (NLPB) equation is used to
calculate the electrostatic contribution to the B to Z transition of DNA using detailed …

Spermine and [Co (NH3) 6] 3+ are known to induce the B→ Z transition in poly (dG-dC)· poly
(dG-dC) DNA. In this paper gel electrophoresis shift assays using the long DNA poly (dG …

Cylindrical cell model Poisson-Boltzmann (PB) calculations are used to evaluate the
electrostatic contributions to the relative stability of various DNA conformations (A, B, C, Z …

We have used the extended RISM approach in conjunction with the SPC model of water to
compute the ten-pair correlation functions of aqueous NaCl systems in a wide range of salt …

We have examined the free energy effects of 5‐methylation of cytosine on the B⟷ Z
conformational equilibrium in DNA. Free energy differences were calculated using the free …

We introduce an efficient computational methodology employing the potentials of mean
force approach for estimating the detailed three-dimensional ionic distributions around …