Results for "docking"
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An ultra–high-performance protein–protein docking software for heterogeneous supercomputers Summary: The application of protein–protein docking in large-scale interactome analysis is a major challenge in structural bioinformatics and requires huge computing resources. In this w...Tags: Bioinformatics, Computational Biology, Protein, Docking
3563 days ago
FRODOCK 2.0: fast protein–protein docking server
frodock: a user-friendly protein–protein docking server based on an improved version of FRODOCK that includes a complementary knowledge-based potential. The web interface provides a very effective tool to explore and select protein–protein models and interactively screen them aga...Tags: FRODOCK, fast, protein–protein, docking, server, protein
2031 days ago
HNADOCK: a nucleic acid docking server for modeling RNA/DNA–RNA/DNA 3D complex structures
The HNADOCK server is to predict the binding complex structure between two nucleic acid molecules through a hierarchical docking algorihtm of an FFT-based global search strategy and an intrinsic scoring function for nucleic acid interactions. Users are required to provide the three-dimensional (3...Tags: HNADOCK, nucleic, acid, docking, server, modeling, RNA, DNA–RNA, DNA, 3D, complex, structures
1435 days ago
AutoDock Vina: an open-source program for doing molecular docking.
AutoDock Vina is an open-source program for doing molecular docking. It was designed and implemented by Dr. Oleg Trott in the Molecular Graphics Lab at The Scripps Research Institute. It is especially effective for protein-ligand docking. AutoDock 4 is available under the GNU ...Tags: AutoDock, Vina, open-source, program, molecular, docking
1426 days ago
- HDOCK SERVER Protein-protein and protein-DNA/RNA docking based on a hybrid algorithm of template-based modeling and ab initio free docking. The HDOCK server distinguishes itself from similar docking servers in its ability to support amino acid sequences as input and a hybrid docking s...
Tags: Protein-protein, protein-DNA, RNA, docking, hybrid, algorithm, template-based, modeling, ab initio, docking
1423 days ago
vsFilt: A tool to improve virtual screening by structural filtration of docking poses
The vsFilt is the first open application for post-docking structural filtration, available as a web-server. The new tool is easy to use and configure to detect a wide range of interaction types that are known to be involved in molecular recognition, including hydrogen and halogen bonds, ionic int...Tags: vsFilt, tool, improve, virtual, screening, structural, filtration, docking, poses
1261 days ago
