Dielectric relaxation and solvation dynamics of water in complex chemical and biological systems
Because of its unique properties, water drives many natural and biological processes. While
a detailed understanding of its precise role is still being unravelled, it is clear that the …
a detailed understanding of its precise role is still being unravelled, it is clear that the …
Intercalation of organic dye molecules into double-stranded DNA--general principles and recent developments
H Ihmels, D Otto - Supermolecular dye chemistry, 2005 - Springer
Several aspects of the intercalation of organic dyes into DNA are presented. After a
description of general features of intercalation and the analytical evaluation of this binding …
description of general features of intercalation and the analytical evaluation of this binding …
Parmbsc1: a refined force field for DNA simulations
We present parmbsc1, a force field for DNA atomistic simulation, which has been
parameterized from high-level quantum mechanical data and tested for nearly 100 systems …
parameterized from high-level quantum mechanical data and tested for nearly 100 systems …
Direct measurement of the dielectric polarization properties of DNA
The electric polarizability of DNA, represented by the dielectric constant, is a key intrinsic
property that modulates DNA interaction with effector proteins. Surprisingly, it has so far …
property that modulates DNA interaction with effector proteins. Surprisingly, it has so far …
Ion transport and the true transference number in nonaqueous polyelectrolyte solutions for lithium ion batteries
Nonaqueous polyelectrolyte solutions have been recently proposed as high Li+
transference number electrolytes for lithium ion batteries. However, the atomistic …
transference number electrolytes for lithium ion batteries. However, the atomistic …
Capacitance cytometry: Measuring biological cells one by one
Measuring the DNA content of eukaryotic cells is a fundamental task in biology and
medicine. We have observed a linear relationship between the DNA content of eukaryotic …
medicine. We have observed a linear relationship between the DNA content of eukaryotic …
Protein crowding affects hydration structure and dynamics
The effect of protein crowding on the structure and dynamics of water was examined from
explicit solvent molecular dynamics simulations of a series of protein G and protein G/villin …
explicit solvent molecular dynamics simulations of a series of protein G and protein G/villin …
Molecular dynamics simulation of nucleic acids
TE Cheatham III, PA Kollman - Annual review of physical …, 2000 - annualreviews.org
We review molecular dynamics simulations of nucleic acids, including those completed from
1995 to 2000, with a focus on the applications and results rather than the methods. After the …
1995 to 2000, with a focus on the applications and results rather than the methods. After the …
TiIV Uptake and Release by Human Serum Transferrin and Recognition of TiIV-Transferrin by Cancer Cells: Understanding the Mechanism of Action of the …
M Guo, H Sun, HJ McArdle, L Gambling, PJ Sadler - Biochemistry, 2000 - ACS Publications
The organometallic anticancer agent titanocene dichloride, Cp2TiCl2, is now in phase II
clinical trials as an anticancer drug, but its mechanism of action is poorly understood. We …
clinical trials as an anticancer drug, but its mechanism of action is poorly understood. We …
Calculating the electrostatic properties of RNA provides new insights into molecular interactions and function
Solutions to the nonlinear Poisson-Boltzmann equation were used to obtain the electrostatic
potentials of RNA molecules that have known three-dimensional structures. The results are …
potentials of RNA molecules that have known three-dimensional structures. The results are …