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CAVER Analyst 2.0: analysis and visualization of channels and tunnels in protein structures and molecular dynamics trajectories.

A. Jurcík, D. Bednar, J. Byska, S. Marques, K. Furmanova, L. Daniel, P. Kokkonen, J. Brezovsky, O. Strnad, J. Stourac, A. Pavelka, M. Manak, J. Damborský, and B. Kozlíková. Bioinformatics, 34 (20): 3586-3588 (2018)

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Multitemplate Alignment Method for the Development of a Reliable 3D-QSAR Model for the Analysis of MMP3 Inhibitors.T. Tuccinardi, G. Ortore, M. Santos, S. Marques, E. Nuti, A. Rossello, and A. Martinelli. Journal of Chemical Information and Modeling, 49 (7): 1715-1724 (2009)Substrate Anchoring and Flexibility Reduction in CYP153AM.aq Leads to Highly Improved Efficiency toward Octanoic AcidL. Rapp, S. Marques, E. Zukic, B. Rowlinson, M. Sharma, G. Grogan, J. Damborsky, and B. Hauer. ACS catalysis, 11 (5): 3182-3189 (2021)Engineering CYP153AM.aq to Oxyfunctionalize its Inhibitor Dodecylamine Using a LC/MS Based Rapid Flow Analysis ScreeningL. Rapp, S. Marques, B. Nebel, J. Damborsky, and B. Hauer. ChemCatChem, (2022)CAVER Analyst 2.0: analysis and visualization of channels and tunnels in protein structures and molecular dynamics trajectories.A. Jurcík, D. Bednar, J. Byska, S. Marques, K. Furmanova, L. Daniel, P. Kokkonen, J. Brezovsky, O. Strnad, J. Stourac and 4 other author(s). Bioinformatics, 34 (20): 3586-3588 (2018)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)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)Evolutionary Analysis As a Powerful Complement to Energy Calculations for Protein StabilizationK. Beerens, S. Mazurenko, A. Kunka, S. Marques, N. Hansen, M. Musil, R. Chaloupkova, J. Waterman, J. Brezovsky, D. Bednar and 2 other author(s). ACS catalysis, 8 (10): 9420-9428 (2018)

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Disambiguation of "Marques, Sérgio M."

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CAVER Analyst 2.0: analysis and visualization of channels and tunnels in protein structures and molecular dynamics trajectories.

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M. Fittingho

Sergio Gutierrez Sanchez University of Stuttgart

M. Nudischer

M. Kratzer

M. Liewald

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Disambiguation

PUMA

Disambiguation of "Marques, Sérgio M."

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML CAVER Analyst 2.0: analysis and visualization of channels and tunnels in protein structures and molecular dynamics trajectories.

Please choose a person to relate this publication to

M. Fittingho

Sergio Gutierrez Sanchez University of Stuttgart

M. Nudischer

M. Kratzer

M. Liewald

Other publications of authors with the same name

Disambiguation

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URL
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CAVER Analyst 2.0: analysis and visualization of channels and tunnels in protein structures and molecular dynamics trajectories.