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 …

The solubility of proteins plays a key role in determining the physicochemical properties,
processing, sensory attributes, shelf life, and nutritional profile of foods formulated with …

On the basis of many literature measurements, a critical overview is given on essential
noncovalent interactions in synthetic supramolecular complexes, accompanied by analyses …

Protein intrinsic disorder is found in all kingdoms of life and is known to underpin numerous
physiological and pathological processes. Computational methods play an important role in …

Understanding the relationship between a polypeptide sequence and its phase separation
has important implications for analysing cellular function, treating disease and designing …

Some frequently encountered deficiencies in all-atom molecular simulations, such as
nonspecific protein–protein interactions being too strong, and unfolded or disordered states …

The Martini coarse-grained force field has been successfully used for simulating a wide
range of (bio) molecular systems. Recent progress in our ability to test the model against …

A computer program that progressively evaluates the hydrophilicity and hydrophobicity of a
protein along its amino acid sequence has been devised. For this purpose, a hydropathy …

Abstract CHARMM (Chemistry at HARvard Molecular Mechanics) is a highly versatile and
widely used molecular simulation program. It has been developed over the last three …

We present an improved and extended version of our coarse grained lipid model. The new
version, coined the MARTINI force field, is parametrized in a systematic way, based on the …