Computer simulations are rapidly becoming a standard tool to study the structure and
dynamics of lipids and membrane proteins. Increasing computer capacity allows unbiased …

α-Helical membrane proteins fulfill many vital roles in all living cells and constitute the
majority of drug targets. However, their relevance is in no way paralleled by our current …

Distributions of each amino acid in the trans‐membrane domain were calculated as a
function of the membrane normal using all currently available α‐helical membrane protein …

Obtaining a quantitative description of the membrane proteins stability is crucial for
understanding many biological processes. However the advance in this direction has …

Exploring the free energy landscape of proteins and modeling the corresponding functional
aspects presents a major challenge for computer simulation approaches. This challenge is …

An implicit-membrane representation based on the generalized Born theory of solvation has
been developed. The method was parameterized against the water-to-cyclohexane insertion …

A computational method to calculate the orientation of membrane-associated α-helices with
respect to a lipid bilayer has been developed. It is based on a previously derived implicit …

The nicotinic acetylcholine receptor (AChR) is the paradigm of ligand-gated ion channels,
integral membrane proteins that mediate fast intercellular communication in response to …

Computer-based modelling and simulation are develo** as effective tools for
supplementing biological data processing and interpretation. It helps to accelerate the …

The elucidation of the molecular nature of the translocon-assisted protein insertion is a
challenging problem due to the complexity of this process. Furthermore, the limited …