The development of scoring functions is of great importance to protein docking. Here we
present a new scoring function for the initial stage of unbound docking. It combines our …

Rigid body protein docking methods frequently yield false positive structures that have good
surface complementarity, but are far from the native complex. The main reason for this is the …

A comprehensive docking study was performed on 27 distinct protein‐protein complexes.
For 13 test systems, docking was performed with the unbound X‐ray structures of both the …

The assumption that crystal contacts reflect natural macromolecular interactions makes a
basis for many studies in structural biology. However, the crystal state may correspond to a …

Most structure prediction algorithms consist of initial sampling of the conformational space,
followed by rescoring and possibly refinement of a number of selected structures. Here we …

We present a simple and effective algorithm RDOCK for refining unbound predictions
generated by a rigid‐body docking algorithm ZDOCK, which has been developed earlier by …

Shape complementarity is the most basic ingredient of the scoring functions for protein‐
protein docking. Most grid‐based docking algorithms use the total number of grid points at …

Molecular docking is widely used to predict novel lead compounds for drug discovery.
Success depends on the quality of the docking scoring function, among other factors. An …

BACKGROUND. There is an unmet clinical need for economic, minimally invasive
procedures that use a limited number of cells for the molecular profiling of tumors in …

Highly specific interaction with foreign molecules is a unique feature of antibodies. Since
1975, when Keller and Milstein proposed the method of hybridoma technology and …