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CAVER: Algorithms for Analyzing Dynamics of Tunnels in Macromolecules.

A. Pavelka, E. Sebestova, B. Kozlíková, J. Brezovsky, J. Sochor, and J. Damborský. IEEE/ACM Trans. Comput. Biology Bioinform., 13 (3): 505-517 (2016)

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Mechanism-Based Discovery of Novel Substrates of Haloalkane Dehalogenases Using in Silico Screening.L. Daniel, T. Buryska, Z. Prokop, J. Damborský, and J. Brezovsky. Journal of Chemical Information and Modeling, 55 (1): 54-62 (2015)FireProt: Energy- and Evolution-Based Computational Design of Thermostable Multiple-Point Mutants.D. Bednar, K. Beerens, E. Sebestova, J. Bendl, S. Khare, R. Chaloupkova, Z. Prokop, J. Brezovsky, D. Baker, and J. Damborský. PLoS Computational Biology, (2015)CETOCOEN Project: From the Laboratory to the Field and Beyond.J. Klánová, L. Bláha, J. Damborský, P. Klán, L. Dusek, and I. Holoubek. ISESS, volume 359 of IFIP Advances in Information and Communication Technology, page 491-499. Springer, (2011)PredictSNP: Robust and Accurate Consensus Classifier for Prediction of Disease-Related Mutations.J. Bendl, J. Stourac, O. Salanda, A. Pavelka, E. Wieben, J. Zendulka, J. Brezovsky, and J. Damborský. PLoS Computational Biology, (2014)FireProt: web server for automated design of thermostable proteins.M. Musil, J. Stourac, J. Bendl, J. Brezovsky, Z. Prokop, J. Zendulka, T. Martínek, D. Bednar, and J. Damborský. Nucleic Acids Research, 45 (Webserver-Issue): W393-W399 (2017)TRITON: in silico construction of protein mutants and prediction of their activities.M. Prokop, J. Damborský, and J. Koca. Bioinformatics, 16 (9): 845-846 (2000)Analysis of Long Molecular Dynamics Simulations Using Interactive Focus+Context Visualization.J. Byska, T. Trautner, S. Marques, J. Damborský, B. Kozlíková, and M. Waldner. Comput. Graph. Forum, 38 (3): 441-453 (2019)CaverDock: a molecular docking-based tool to analyse ligand transport through protein tunnels and channels.O. Vavra, J. Filipovic, J. Plhak, D. Bednar, S. Marques, J. Brezovsky, J. Stourac, L. Matyska, and J. Damborský. Bioinformatics, 35 (23): 4986-4993 (2019)Comparative binding energy analysis of haloalkane dehalogenase substrates: Modelling of enzyme-substrate complexes by molecular docking and quantum mechanical calculations.J. Kmunícek, M. Bohác, S. Luengo, F. Gago, R. Wade, and J. Damborský. Journal of Computer-Aided Molecular Design, 17 (5-6): 299-311 (2003)Mechanism of enhanced conversion of 1, 2, 3-trichloropropane by mutant haloalkane dehalogenase revealed by molecular modeling.P. Banás, M. Otyepka, P. Jerábek, M. Petrek, and J. Damborský. Journal of Computer-Aided Molecular Design, 20 (6): 375-383 (2006)

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CAVER: Algorithms for Analyzing Dynamics of Tunnels in Macromolecules.

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copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML CAVER: Algorithms for Analyzing Dynamics of Tunnels in Macromolecules.

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CAVER: Algorithms for Analyzing Dynamics of Tunnels in Macromolecules.