Water dynamics in the hydration shells of biomolecules
The structure and function of biomolecules are strongly influenced by their hydration shells.
Structural fluctuations and molecular excitations of hydrating water molecules cover a broad …
Structural fluctuations and molecular excitations of hydrating water molecules cover a broad …
Classical electrostatics in biology and chemistry
A major revival in the use of classical electrostatics as an approach to the study of charged
and polar molecules in aqueous solution has been made possible through the development …
and polar molecules in aqueous solution has been made possible through the development …
The role of DNA shape in protein–DNA recognition
The recognition of specific DNA sequences by proteins is thought to depend on two types of
mechanism: one that involves the formation of hydrogen bonds with specific bases, primarily …
mechanism: one that involves the formation of hydrogen bonds with specific bases, primarily …
Origins of specificity in protein-DNA recognition
Specific interactions between proteins and DNA are fundamental to many biological
processes. In this review, we provide a revised view of protein-DNA interactions that …
processes. In this review, we provide a revised view of protein-DNA interactions that …
[PDF][PDF] Interactions in macromolecules: theory and applications
302 SHARP & HONIG who then jumped in unison to the great amusement of the onlookers
(67a). The point of the story, in the context of the article,. was that" electrostatics was not …
(67a). The point of the story, in the context of the article,. was that" electrostatics was not …
Understanding nucleic acid–ion interactions
Ions surround nucleic acids in what is referred to as an ion atmosphere. As a result, the
folding and dynamics of RNA and DNA and their complexes with proteins and with each …
folding and dynamics of RNA and DNA and their complexes with proteins and with each …
A rapid finite difference algorithm, utilizing successive over‐relaxation to solve the Poisson–Boltzmann equation
A Nicholls, B Honig - Journal of computational chemistry, 1991 - Wiley Online Library
An efficient algorithm is presented for the numerical solution of the Poisson–Boltzmann
equation by the finite difference method of successive over‐relaxation. Improvements …
equation by the finite difference method of successive over‐relaxation. Improvements …
Electrostatics in biomolecular structure and dynamics
ME Davis, JA McCammon - Chemical Reviews, 1990 - ACS Publications
Electromagnetism is the force of chemistry. Combined with the consequences of
quantumand statistical mechanics, electromagnetic forces maintain the structure and drive …
quantumand statistical mechanics, electromagnetic forces maintain the structure and drive …
Calculating total electrostatic energies with the nonlinear Poisson-Boltzmann equation
The Poisson-Boltzmann (PB) equation has long been used for modeling the electrostatic
properties of membranes, colloids, polyelectrolytes and macromolecules. Analytical …
properties of membranes, colloids, polyelectrolytes and macromolecules. Analytical …
Theoretical methods for the description of the solvent effect in biomolecular systems
The environment plays a key role in the determination of the properties and reactivity of
substances in condensed phases. The complexity of chemical phenomena in solution has …
substances in condensed phases. The complexity of chemical phenomena in solution has …