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Structural bioinformatics
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=== Tools === {| class="wikitable" |+List of structural bioinformatics tools !Software !Description |- |[[I-TASSER]] |Predicting three-dimensional structure model of protein molecules from amino acid sequences. |- |[[Molecular Operating Environment|MOE]] |Molecular Operating Environment (MOE) is an extensive platform including structural modeling for proteins, protein families and antibodies<ref>[http://www.chemcomp.com/MOE-Molecular_Operating_Environment.htm MOE]</ref> |- |[http://sbl.inria.fr SBL] |The Structural Bioinformatics Library: end-user applications and advanced algorithms |- |[[BALLView]] |Molecular modeling and visualization<ref>[http://www.ball-project.org/Ballview BALLView]</ref> |- |[http://www.cbi.cnptia.embrapa.br/SMS STING] |Visualization and analysis |- |[[PyMOL]] |Viewer and modeling<ref>[http://www.pymol.org/ PyMOL]</ref> |- |[[Visual Molecular Dynamics|VMD]] |Viewer, molecular dynamics<ref>[http://www.ks.uiuc.edu/Research/vmd/ VMD]</ref> |- |[[Gromacs]] |Protein folding, molecular dynamics, molecular model refinement, molecular model force field generation<ref>[https://www.gromacs.org/ Gromacs]</ref> |- |[[LAMMPS]] |Protein folding, molecular dynamics, molecular model refinement, Quantum mechanical macro-molecular interactions<ref>[https://www.lammps.org/#gsc.tab=0 LAMMPS]</ref> |- |[[GAMESS]] |Molecular Force Field, Charge refinement, Quantum molecular dynamics, Protein-Molecular chemical reaction simulations (electron transfer),<ref>[https://www.msg.chem.iastate.edu/gamess/ GAMESS]</ref> |- |[http://kinemage.biochem.duke.edu/software/ KiNG] |An [[Open-source software|open-source]] Java [[kinemage]] viewer |- |[[STRIDE (algorithm)|STRIDE]] |Determination of secondary structure from coordinates<ref>[https://web.archive.org/web/20010816122006/http://www.embl-heidelberg.de/argos/stride/stride_info.html STRIDE]</ref> |- |[[DSSP (algorithm)|DSSP]] |Algorithm assigning a secondary structure to the amino acids of a protein |- |[http://molprobity.biochem.duke.edu/ MolProbity] |Structure-validation web server |- |[https://web.archive.org/web/20080801065546/http://www.biochem.ucl.ac.uk/~roman/procheck/procheck.html PROCHECK] |A structure-validation [[web service]] |- |[[CheShift]] |A protein structure-validation on-line application |- |[https://3dmol.csb.pitt.edu/ 3D-mol.js] |A molecular viewer for web applications developed using Javascript |- |[https://web.archive.org/web/20070113065659/http://propka.ki.ku.dk/ PROPKA] |Rapid prediction of protein pKa values based on empirical structure/function relationships |- |[http://cara.nmr.ch/ CARA] |Computer Aided Resonance Assignment |- |[http://www.dockingserver.com/ Docking Server] |A molecular docking web server |- |[http://web.mit.edu/star/biochem StarBiochem] |A java protein viewer, features direct search of protein databank |- |[https://sites.google.com/view/spade SPADE] |The structural proteomics application development environment |- |[http://proline.physics.iisc.ernet.in/pocketsuite/ PocketSuite] |A web portal for various web-servers for binding site-level analysis. PocketSuite is divided into:: PocketDepth (Binding site prediction) PocketMatch (Binding site comparison), PocketAlign (Binding site alignment), and PocketAnnotate (Binding site annotation). |- |[http://msl-libraries.org MSL] |An open-source C++ molecular modeling software library for the implementation of structural analysis, prediction and design methods |- |[http://zhanglab.ccmb.med.umich.edu/PSSpred/ PSSpred] |Protein secondary structure prediction |- |[http://proteus.dcc.ufmg.br/ Proteus] |Webtool for suggesting mutation pairs |- |[http://marid.bioc.cam.ac.uk/sdm2 SDM] |A server for predicting effects of mutations on protein stability |}
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