In this paper we review the current status of high-performance computing applications in the
general area of drug discovery. We provide an introduction to the methodologies applied at …

1. Introduction 172. Dynamics of many-body systems 192.1 Effective dynamics of reduced
systems 212.2 The constraint of thermodynamic equilibrium 242.3 Mean-field theories 253 …

Transport of ions through pores in membranes is a process of fundamental importance to
cell biology. In living organisms, such transport is facilitated by ion channels that utilize the …

How does the brain work? After a century of research, we still lack a coherent view of how
neurons process signals and control our activities. But as the field of computational …

Potassium channels are tetrameric membrane-spanning proteins that provide a selective
pore for the conduction of K+ across the cell membranes. One of the main physiological …

Long-standing research on electric and electromagnetic field interactions with biological
cells and their subcellular structures has mainly focused on the low-and high-frequency …

▪ Abstract Potassium (K+) channels are tetrameric membrane-spanning proteins that provide
a selective pore for the conductance of K+ across the cell membranes. These channels are …

Clostridia is one of the largest bacterial genera with an enormous potential for biotechnical
and medical applications. Despite growing scientific, medical, and industrial interest …

Molecular dynamics simulations of a bacterial potassium channel (KcsA) embedded in a
phospholipid bilayer reveal significant differences in interactions of the selectivity filter with …

Proteins are the cell's workers, their messengers and overseers. In these roles, proteins
specifically bind small molecules, nucleic acid and other protein partners. Cellular systems …