On the Choice of Different Water Model in Molecular Dynamics Simulations of Nanopore Transport Phenomena

Chulwoo Park1, Ferlin Robinson1, Daejoong Kim1

  • 1Department of Mechanical Engineering, Sogang University, Seoul 04107, Korea.

Membranes
|November 11, 2022
PubMed

Related Concept Videos

Aquaporins01:25

Aquaporins

Aquaporins or AQPs are a family of integral membrane proteins whose primary function is to transport water, while some called aquaglyceroporins also transport glycerol. In addition, aquaporins have also been suspected to be involved in transporting volatile substances, such as carbon dioxide and ammonia, across membranes. Such AQPs that act as gas channels are often highly expressed in cells involved in the gaseous exchange, such as red blood cells, epithelial cells, and pulmonary capillaries.
4.9K
Pore Transport and Ion-Pair Transport01:17

Pore Transport and Ion-Pair Transport

Pore transport and ion-pair formation are critical mechanisms for the absorption and distribution of drugs in the body.
Pore transport, also known as convective transport, is a process where small molecules like urea, water, and sugars rapidly cross cell membranes as though there were channels or pores in the membrane. Although direct microscopic evidence is limited  but the concept of pores or channels is widely accepted based on physiological evidence. Despite the lack of direct...
574
The Fluid Mosaic Model01:34

The Fluid Mosaic Model

The fluid mosaic model was first proposed as a visual representation of research observations. The model comprises the composition and dynamics of membranes and serves as a foundation for future membrane-related studies. The model depicts the structure of the plasma membrane with a variety of components, which include phospholipids, proteins, and carbohydrates. These integral molecules are loosely bound, defining the cell’s border and providing fluidity for optimal function.
149.9K
Capillarity in Fluid01:19

Capillarity in Fluid

Capillarity describes the movement of liquid in small spaces without external forces acting on it. The capillarity is driven by surface tension and adhesive interactions between the liquid and surrounding solid surfaces. This effect is often seen in narrow tubes, porous materials, and fine particles.
Surface tension is crucial to capillarity. It results from cohesive forces between liquid molecules at the liquid-air boundary, forming a skin that resists external forces. When the capillary tube...
323