▪ Abstract The energy landscape theory of protein folding is a statistical description of a
protein's potential surface. It assumes that folding occurs through organizing an ensemble of …

Knowledge based potentials and energy functions are extracted from a number of
databases of known protein structures. Recent developments have shown that this type of …

We present the results for CAPRI Round 50, the fourth joint CASP‐CAPRI protein assembly
prediction challenge. The Round comprised a total of twelve targets, including six dimers …

Protein structures in the Protein Data Bank provide a wealth of data about the interactions
that determine the native states of proteins. Using the probability theory, we derive an atomic …

In protein structure prediction, a considerable number of alternative models are usually
produced from which subsequently the final model has to be selected. Thus, a scoring …

We explore the ability of a simple simulated annealing procedure to assemble native-like
structures from fragments of unrelated protein structures with similar local sequences using …

The development and validation of a new knowledge-based scoring function (DrugScore) to
describe the binding geometry of ligands in proteins is presented. It discriminates efficiently …

The ability to separate correct models of protein structures from less correct models is of the
greatest importance for protein structure prediction methods. Several studies have examined …

We estimated effective atomic contact energies (ACE), the desolvation free energies
required to transfer atoms from water to a protein's interior, using an adaptation of a method …

We present the seventh report on the performance of methods for predicting the atomic
resolution structures of protein complexes offered as targets to the community‐wide initiative …