Efforts to combine theory and experiment to advance our knowledge of molecular processes
relevant to biophysics have been considerably enhanced by the contribution of statistical …

Vitamins are dietary components which are necessary for life. They play a major role in
health and their deficiency may be linked to symptoms of psychiatric disorders. B vitamins …

Accurate prediction of standard binding free energies describing protein–ligand association
remains a daunting computational endeavor. This challenge is rooted to a large extent in the …

Recent studies at the nanometer scale have revealed that relatively uniform clusters of
adhesion proteins (50–100 nm) constitute the modular units of cell adhesion sites in both …

Nanomedicine aims to increase the effectiveness of therapeutic and diagnostic agents by
exploiting unique properties that arise when operating at the nanoscale. Despite the recent …

The interplay between chemical and mechanical signals plays an important role in cell
biology, and integrin receptors are the primary molecules involved in sensing and …

Stimuli-responsive macromolecular assemblies are of great interest in drug delivery
applications, as it holds the promise to keep the drug molecules sequestered under one set …

The high affinity (KD~ 10− 15 M) of biotin for avidin and streptavidin is the essential
component in a multitude of bioassays with many experiments using biotin modifications to …

The protein–ligand binding affinity quantifies the binding strength between a protein and its
ligand. Computer modeling and simulations can be used to estimate the binding affinity or …

An electrostatically embedded generalized molecular fractionation with conjugate caps (EE-
GMFCC) method (J. Phys. Chem. A, 2013, 117, 7149) has been successfully used for …