When Szent-Györgyi called water the “matrix of life”, 1 he was echoing an old sentiment.
Paracelsus in the 16th century said that “water was the matrix of the world and of all its …

Water molecules are often found at the binding interface of biomolecular complexes
mediating the interaction between polar groups viahydrogen bonds, or simply filling space …

The associative memory, water mediated, structure and energy model (AWSEM) is a coarse-
grained protein force field. AWSEM contains physically motivated terms, such as hydrogen …

The quasi-bound biological or structuredwater molecules in a protein play a key role in
many biological processes. The dynamics of the biological water has been studied by …

Energy landscape theories have provided a common ground for understanding the protein
folding problem, which once seemed to be overwhelmingly complicated. At the same time …

While being long in range and therefore weakly specific, electrostatic interactions are able to
modulate the stability and folding landscapes of some proteins. The relevance of …

The biennial CASP experiment is a crucial way to evaluate, in an unbiased way, the
progress in predicting novel 3D protein structures. In this article, we assess the quality of …

Biomolecular function is realized by recognition, and increasing evidence shows that
recognition is determined not only by structure but also by flexibility and dynamics. We …

Proteins are highly complex molecules with features exquisitely selected by nature to carry
out essential biological functions. Physical chemistry and polymer physics provide us with …

Efficient protein folding implies a microscopic funnel-like multidimensional free-energy
landscape. Macroscopically, conformational entropy reduction can manifest itself as part of …