AQUA-DUCT citations:

2019

Distant Non-Obvious Mutations Influence the Activity of a Hyperthermophilic Pyrococcus furiosus Phosphoglucose Isomerase
K. Subramanian, K. Mitusińska, J. Raedts, F. Almourfi, H. J. Joosten, S. Hendriks, S. E. Sedelnikova, S. W. M. Kengen, W. R. Hagen, A. Góra, V.A. P. Martins dos Santos, P. J. Baker, J. van der Oost, P. J. Schaap, Biomolecules, 9(6), 212, 2019 DOI: 10.3390/biom9060212 ARTICLE

Engineering enzyme access tunnels
P. Kokkonen, D. Bednar, G. Pinto, Z. Prokop, J. Damborsky, Biotechnology Advances, 2019, DOI: 10.1016/j.biotechadv.2019.04.008 ARTICLE

Chemoinformatics: From Chemical Art to Chemistry in Silico
J. Polanski,  Encyclopedia of Bioinformatics and Computational Biology, 601-618, 2019, DOI: 10.1016/b978-0-12-809633-8.20189-1 ARTICLE

2018

Exploring Solanum tuberosum Epoxide Hydrolase Internal Architecture by Water Molecules Tracking
K. Mitusińska, T. Magdziarz, M. Bzówka, A. Stańczak, A. Gora, Biomolecules, 8(4), 143, (2018), DOI: 10.3390/biom8040143 ARTICLE

Self-Assembly Simulations of Classic Claudins—Insights into the Pore Structure, Selectivity, and Higher Order Complexes
F. J. Irudayanathan, X. Wang, N. Wang,S. R. Willsey, I. A. Seddon, S. Nangia , J. Phys. Chem. B, Article ASAP DOI: 10.1021/acs.jpcb.8b03842  ARTICLE

Modulating D-amino acid oxidase (DAAO) substrate specificity through facilitated solvent access.
K. Subramanian, A. Góra, R. Spruijt, K. Mitusińska, M. Suarez-Diez, V. M. dos Santos, P. J. Schaap,  PLoS ONE 13(6): e0198990. DOI: 10.1371/journal.pone.0198990 ARTICLEOpen Access

2017

Chemoinformatics: From Chemical Art to Chemistry In Silico
J.Polański, University of Silesia, Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, (2017) DOI: 10.1016/B978-0-12-409547-2.14327-6  ARTICLE

Watergate: Visual Exploration of Water Trajectories in Protein Dynamics
V. Vad, J. Byška, A. Jurcík, I. Viola, E. M. Gröller, H. Hauser, S. M. Marques, J. Damborský, B. Kozlíková . Eurographics Workshop on Visual Computing for Biology and Medicine (2017) DOI: 10.2312/vcbm.20171235  ARTICLE