ZDOCK: an initial‐stage protein‐docking algorithm
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 …
present a new scoring function for the initial stage of unbound docking. It combines our …
RDOCK: refinement of rigid‐body protein docking predictions
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 …
generated by a rigid‐body docking algorithm ZDOCK, which has been developed earlier by …
ZDOCK predictions for the CAPRI challenge
The CAPRI Challenge is a blind test of protein–protein‐docking algorithms that predict the
complex structure from the crystal structures of the interacting proteins. We participated in …
complex structure from the crystal structures of the interacting proteins. We participated in …
Identification of near‐native structures by clustering protein docking conformations
S Lorenzen, Y Zhang - PROTEINS: Structure, Function, and …, 2007 - Wiley Online Library
Most state‐of‐the‐art protein–protein docking algorithms use the Fast Fourier Transform
(FFT) technique to sample the six‐dimensional translational and rotational space. Scoring …
(FFT) technique to sample the six‐dimensional translational and rotational space. Scoring …
ZRANK: reranking protein docking predictions with an optimized energy function
Protein–protein docking requires fast and effective methods to quickly discriminate correct
from incorrect predictions generated by initial‐stage docking. We have developed and …
from incorrect predictions generated by initial‐stage docking. We have developed and …
pyDock: Electrostatics and desolvation for effective scoring of rigid‐body protein–protein docking
TMK Cheng, TL Blundell… - … Structure, Function, and …, 2007 - Wiley Online Library
The accurate scoring of rigid‐body docking orientations represents one of the major
difficulties in protein–protein docking prediction. Other challenges are the development of …
difficulties in protein–protein docking prediction. Other challenges are the development of …
FireDock: fast interaction refinement in molecular docking
N Andrusier, R Nussinov… - … : Structure, Function, and …, 2007 - Wiley Online Library
Here, we present FireDock, an efficient method for the refinement and rescoring of rigid‐
body docking solutions. The refinement process consists of two main steps:(1) …
body docking solutions. The refinement process consists of two main steps:(1) …
Integrating atom‐based and residue‐based scoring functions for protein–protein docking
Most scoring functions for protein–protein docking algorithms are either atom‐based or
residue‐based, with the former being able to produce higher quality structures and latter …
residue‐based, with the former being able to produce higher quality structures and latter …
A combination of rescoring and refinement significantly improves protein docking performance
To determine the structures of protein–protein interactions, protein docking is a valuable tool
that complements experimental methods to characterize protein complexes. Although …
that complements experimental methods to characterize protein complexes. Although …
Protein–protein docking benchmark version 3.0
We present version 3.0 of our publicly available protein–protein docking benchmark. This
update includes 40 new test cases, representing a 48% increase from Benchmark 2.0. For …
update includes 40 new test cases, representing a 48% increase from Benchmark 2.0. For …