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Advances in Experimental Medicine and Biology, ISSN 0065-2598, 2017, Volume 1009, pp. 229 - 238
Journal Article
Journal of Molecular Biology, ISSN 0022-2836, 02/2016, Volume 428, Issue 4, pp. 720 - 725
The prediction of the quaternary structure of biomolecular macromolecules is of paramount importance for fundamental understanding of cellular processes and... 
biomolecular docking | protein complexes | hybrid modeling | data-driven | grid computing | PROTEIN DOCKING | BIOCHEMISTRY & MOLECULAR BIOLOGY | VALIDATION | WATER | Computational Biology - methods | Macromolecular Substances - chemistry | Internet | Molecular Biology - methods | File servers | Analysis | Models | Nucleic acids
Journal Article
Nature Protocols, ISSN 1754-2189, 2010, Volume 5, Issue 5, pp. 883 - 897
Computational docking is the prediction or modeling of the three-dimensional structure of a biomolecular complex, starting from the structures of the... 
VISUALIZATION | SYSTEM | RESIDUAL DIPOLAR COUPLINGS | INFORMATION | COMPLEXES | CAPRI | BIOCHEMICAL RESEARCH METHODS | NUCLEIC-ACID STRUCTURES | PROTEIN-PROTEIN DOCKING | MOLECULAR DOCKING | FAST INTERACTION REFINEMENT | User-Computer Interface | Software | Proteins - chemistry | Models, Chemical | Databases, Factual | Amino acids | File servers | Analysis
Journal Article
Proteins: Structure, Function and Bioinformatics, ISSN 0887-3585, 2010, Volume 78, Issue 1, pp. 95 - 108
Journal Article
Sensors and Actuators: B. Chemical, ISSN 0925-4005, 02/2020, Volume 304, p. 127223
As one of the most potent carcinogens, aristolochic acid I (AAI) can be founded in many plants, which are widely used as raw materials in traditional Chinese... 
Aristolochic acid I | Protein docking | Surface-enhanced Raman scattering | Ag@BSA NPs
Journal Article
Structure, ISSN 0969-2126, 06/2019, Volume 27, Issue 6, pp. 1034 - 1040.e3
Flexibility is often a key determinant of protein function. To elucidate the link between their molecular structure and role in an organism, computational... 
deep learning | autoencoder | protein docking | molecular dynamics | molecular modeling | Proteins | Molecular dynamics | Neural networks | Analysis
Journal Article
Structure, ISSN 0969-2126, 06/2019, Volume 27, Issue 6, pp. 1041 - 1051.e8
Symmetrical homomeric proteins are ubiquitous in every domain of life, and information about their structure is essential to decipher function. The size of... 
protein docking | symmetry | Rosetta | Proteins | Algorithms | Molecular biology | Analysis
Journal Article
Nucleic Acids Research, ISSN 0305-1048, 07/2005, Volume 33, Issue 2, pp. W363 - W367
Here, we describe two freely available web servers for molecular docking. The PatchDock method performs structure prediction of protein-protein and... 
DESOLVATION | BIOCHEMISTRY & MOLECULAR BIOLOGY | PROTEIN-PROTEIN DOCKING | SHAPE COMPLEMENTARITY | ELECTROSTATICS | MOLECULAR-SURFACE RECOGNITION | GENETIC ALGORITHM | CONFORMATIONS | User-Computer Interface | Multiprotein Complexes - chemistry | Algorithms | Ligands | Protein Conformation | Software | Internet
Journal Article
International Journal of Molecular Sciences, ISSN 1422-0067, 09/2019, Volume 20, Issue 18, p. 4538
The Na+, K+-ATPase transports Na+ and K+ across the membrane of all animal cells. In addition to its ion transporting function, the Na+, K+-ATPase acts as a... 
MD simulations | Na+, K+-ATPase | protein docking | cell adhesion | β-subunit
Journal Article
Nucleic Acids Research, ISSN 0305-1048, 7/2008, Volume 36, Issue suppl_2, pp. W229 - W232
Structural details of protein-protein interactions are invaluable for understanding and deciphering biological mechanisms. Computational docking methods aim to... 
CLUSPRO | DISCRIMINATION | BIOCHEMISTRY & MOLECULAR BIOLOGY | ALGORITHM | FLEXIBLE SIDE-CHAINS | OPTIMIZATION | PROTEIN-PROTEIN DOCKING | PREDICTION | User-Computer Interface | Multiprotein Complexes - chemistry | Algorithms | Models, Molecular | Software | Internet | Protein Interaction Mapping
Journal Article
by He, JH and Wang, J and Tao, HY and Xiao, Y and Huang, SY
NUCLEIC ACIDS RESEARCH, ISSN 0305-1048, 07/2019, Volume 47, Issue W1, pp. W35 - W42
Interactions between nuclide acids (RNA/DNA) play important roles in many basic cellular activities like transcription regulation, RNA processing, and protein... 
PROTEIN-PROTEIN DOCKING | RNA-RNA INTERACTIONS | BIOCHEMISTRY & MOLECULAR BIOLOGY | WEB SERVER | ACCURATE PREDICTION | Web Server Issue
Journal Article
Nucleic Acids Research, ISSN 0305-1048, 05/2010, Volume 38, Issue 2, pp. W445 - W449
HexServer (http://hexserver.loria.fr/) is the first Fourier transform (FFT)-based protein docking server to be powered by graphics processors. Using two... 
BIOCHEMISTRY & MOLECULAR BIOLOGY | ALGORITHM | Computer Graphics | User-Computer Interface | Multiprotein Complexes - chemistry | Algorithms | Protein Conformation | Software | Internet | Binding Sites | Life Sciences | Quantitative Methods | Bioinformatics | Computer Science
Journal Article
MOLECULAR & CELLULAR PROTEOMICS, ISSN 1535-9476, 08/2010, Volume 9, Issue 8, pp. 1784 - 1794
Over the last years, large scale proteomics studies have generated a wealth of information of biomolecular complexes. Adding the structural dimension to the... 
HUMAN GENOME | RECOGNITION | C-N | COMPLEXES | CAPRI | BIOCHEMICAL RESEARCH METHODS | PROTEIN-PROTEIN DOCKING | SACCHAROMYCES-CEREVISIAE | MASS-SPECTROMETRY | INTERACTOME | PREDICTION
Journal Article
Beijing Gongye Daxue Xuebao/Journal of Beijing University of Technology, ISSN 0254-0037, 12/2017, Volume 43, Issue 12, pp. 1828 - 1836
Journal Article
Journal of Molecular Biology, ISSN 0022-2836, 01/2009, Volume 385, Issue 2, pp. 381 - 392
Computational docking of small-molecule ligands into protein receptors is an important tool for modern drug discovery. Although conformational adjustments are... 
backbone flexibility | protein flexibility | small-molecule docking | Rosetta | DESIGN | BIOCHEMISTRY & MOLECULAR BIOLOGY | AUTOMATED DOCKING | PROTEIN-PROTEIN DOCKING | STRUCTURE PREDICTION | CONFORMATIONS | Computational Biology - methods | Proteins - metabolism | Computer Simulation | Models, Molecular | Protein Binding | Drug Discovery - methods | Ligands | Algorithms
Journal Article