Water solubility and structural stability are key merits for proteins defined by the primary
sequence and 3D-conformation. Their manipulation represents important aspects of the …

Transmembrane (TM) helices of integral membrane proteins can facilitate strong and
specific noncovalent protein–protein interactions. Mutagenesis and structural analyses have …

Overexpression of the zinc enzyme carbonic anhydrase (CA; EC 4.2. 1.1) XII is observed in
certain human cancers. This bitopic membrane protein contains an N-terminal extracellular …

Exploiting recent developments in generalized Born (GB) electrostatics theory, we have
reformulated the calculation of the self-electrostatic solvation energy to account for the …

Much of postgenomic biochemistry and all of structural biology are based on the premise
that the starting point for both understanding specific biochemical processes, such as affinity …

Receptor tyrosine kinases (RTKs) conduct biochemical signals via lateral dimerization in the
plasma membrane, and their transmembrane (TM) domains play an important role in the …

Interactions of lipids are central to the folding and stability of membrane proteins. Coarse-
grained molecular dynamics simulations have been used to reveal the mechanisms of self …

This paper reviews various enhanced conformational sampling methods and explicit/implicit
solvent/membrane models, as well as their recent applications to the exploration of the …

A simple extension of the EEF1 energy function to heterogeneous membrane‐aqueous
media is proposed. The extension consists of (a) development of solvation parameters for a …

Human red blood cells (RBC), which are the cells most commonly used in the study of
biological membranes, have some glycoproteins in their cell membrane. These membrane …