Protein-protein docking;
Deep learning;
Artificial intelligence;
Nature-inspired algorithms;
Geometric algorithms;
Searching and scoring;
UNITED-RESIDUE MODEL;
MOLECULAR-DYNAMICS;
WEB SERVER;
SCORING FUNCTION;
STRUCTURE PREDICTION;
AFFINITY PREDICTION;
POLYPEPTIDE-CHAINS;
INTERACTION SITES;
NEURAL-NETWORK;
BENCHMARK;
D O I:
10.1007/s10930-021-10031-8
中图分类号:
Q5 [生物化学];
Q7 [分子生物学];
学科分类号:
071010 ;
081704 ;
摘要:
The biological significance of proteins attracted the scientific community in exploring their characteristics. The studies shed light on the interaction patterns and functions of proteins in a living body. Due to their practical difficulties, reliable experimental techniques pave the way for introducing computational methods in the interaction prediction. Automated methods reduced the difficulties but could not yet replace experimental studies as the field is still evolving. Interaction prediction problem being critical needs highly accurate results, but none of the existing methods could offer reliable performance that can parallel with experimental results yet. This article aims to assess the existing computational docking algorithms, their challenges, and future scope. Blind docking techniques are quite helpful when no information other than the individual structures are available. As more and more complex structures are being added to different databases, information-driven approaches can be a good alternative. Artificial intelligence, ruling over the major fields, is expected to take over this domain very shortly.
机构:
Clarkson Univ, Dept Chem & Biomol Sci, Biochem & Prote Grp, Potsdam, NY 13699 USAClarkson Univ, Dept Chem & Biomol Sci, Biochem & Prote Grp, Potsdam, NY 13699 USA
Wetie, Armand G. Ngounou
Sokolowska, Izabela
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机构:
Clarkson Univ, Dept Chem & Biomol Sci, Biochem & Prote Grp, Potsdam, NY 13699 USAClarkson Univ, Dept Chem & Biomol Sci, Biochem & Prote Grp, Potsdam, NY 13699 USA
Sokolowska, Izabela
Woods, Alisa G.
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h-index: 0
机构:
Clarkson Univ, Dept Chem & Biomol Sci, Biochem & Prote Grp, Potsdam, NY 13699 USAClarkson Univ, Dept Chem & Biomol Sci, Biochem & Prote Grp, Potsdam, NY 13699 USA
Woods, Alisa G.
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机构:
Roy, Urmi
Loo, Joseph A.
论文数: 0引用数: 0
h-index: 0
机构:
Univ Calif Los Angeles, Dept Biol Chem, Los Angeles, CA USA
Univ Calif Los Angeles, Dept Chem & Biochem, UCLA Mol Biol Inst, Los Angeles, CA 90024 USA
Univ Calif Los Angeles, UCLA DOE Inst Genom & Prote, Los Angeles, CA USAClarkson Univ, Dept Chem & Biomol Sci, Biochem & Prote Grp, Potsdam, NY 13699 USA
Loo, Joseph A.
Darie, Costel C.
论文数: 0引用数: 0
h-index: 0
机构:
Clarkson Univ, Dept Chem & Biomol Sci, Biochem & Prote Grp, Potsdam, NY 13699 USAClarkson Univ, Dept Chem & Biomol Sci, Biochem & Prote Grp, Potsdam, NY 13699 USA
机构:
Yale Univ, Dept Mol Biophys & Biochem, New Haven, CT 06520 USA
Yale Univ, Dept Chem, New Haven, CT USA
Yale Univ, Integrated Grad Program Phys & Engn Biol, New Haven, CT USAYale Univ, Dept Mol Biophys & Biochem, New Haven, CT 06520 USA
Regan, Lynne
Caballero, Diego
论文数: 0引用数: 0
h-index: 0
机构:
Yale Univ, Integrated Grad Program Phys & Engn Biol, New Haven, CT USA
Yale Univ, Dept Phys, New Haven, CT USAYale Univ, Dept Mol Biophys & Biochem, New Haven, CT 06520 USA
Caballero, Diego
Hinrichsen, Michael R.
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h-index: 0
机构:
Yale Univ, Dept Mol Biophys & Biochem, New Haven, CT 06520 USAYale Univ, Dept Mol Biophys & Biochem, New Haven, CT 06520 USA
Hinrichsen, Michael R.
Virrueta, Alejandro
论文数: 0引用数: 0
h-index: 0
机构:
Yale Univ, Integrated Grad Program Phys & Engn Biol, New Haven, CT USA
Yale Univ, Dept Mech Engn & Mat Sci, New Haven, CT USAYale Univ, Dept Mol Biophys & Biochem, New Haven, CT 06520 USA
Virrueta, Alejandro
Williams, Danielle M.
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机构:
Yale Univ, Dept Mol Biophys & Biochem, New Haven, CT 06520 USAYale Univ, Dept Mol Biophys & Biochem, New Haven, CT 06520 USA
Williams, Danielle M.
O'Hern, Corey S.
论文数: 0引用数: 0
h-index: 0
机构:
Yale Univ, Integrated Grad Program Phys & Engn Biol, New Haven, CT USA
Yale Univ, Dept Phys, New Haven, CT USA
Yale Univ, Dept Mech Engn & Mat Sci, New Haven, CT USA
Yale Univ, Dept Appl Phys, New Haven, CT 06520 USAYale Univ, Dept Mol Biophys & Biochem, New Haven, CT 06520 USA