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SaveAchieving femtomolar affinities in structure-based drug design
Zubriene, Asta; Kurtenoka, Maija; Paketuryte-Latve, Vaida; Leitans, Janis; Manakova, Elena; Zvirblis, Mantas; Kazaks, Andris; Eimonta, Vladislava; Tars, Kaspars; Grazulis, Saulius; Petrauskas, Vytautas; Matuliene, Jurgita; Dudutiene, Virginija; Shubin, Kirill; Matulis, Daumantas Share Save Design of Rigid Compounds to Enhance Selectivity for Carbonic Anhydrase IXVaskevicius, Aivaras; Trumpickaite, Gabriele; Parafjanovic, Edvin; Manakova, Elena; Mickeviciute, Aurelija; Gedgaudas, Marius; Kojis, Tautvydas; Paketuryte-Latve, Vaida; Smirnov, Alexey; Baranauskiene, Lina; Grazulis, Saulius; Zubriene, Asta; Dudutiene, Virginija; Matulis, Daumantas Share Save Targeted anticancer pre-vinylsulfone covalent inhibitors of carbonic anhydrase IXVaskevicius, Aivaras; Baronas, Denis; Leitans, Janis; Kvietkauskaite, Agne; Ruksenaite, Audrone; Manakova, Elena; Toleikis, Zigmantas; Kaupinis, Algirdas; Kazaks, Andris; Gedgaudas, Marius; Mickeviciute, Aurelija; Juozapaitiene, Vaida; Schioeth, Helgi B.; Jaudzems, Kristaps; Valius, Mindaugas; Tars, Kaspars; Grazulis, Saulius; Meyer-Almes, Franz-Josef; Matuliene, Jurgita; Zubriene, Asta; Dudutiene, Virginija; Matulis, Daumantas Share Save Developments and applications of the OPTIMADE API for materials discovery, design, and data exchangeEvans, Matthew L.; Bergsma, Johan; Merkys, Andrius; Andersen, Casper W.; Andersson, Oskar B.; Beltran, Daniel; Blokhin, Evgeny; Boland, Tara M.; Castaneda Balderas, Ruben; Choudhary, Kamal; Diaz Diaz, Alberto; Dominguez Garcia, Rodrigo; Eckert, Hagen; Eimre, Kristjan; Fuentes Montero, Maria Elena; Krajewski, Adam M.; Mortensen, Jens Jorgen; Napoles Duarte, Jose Manuel; Pietryga, Jacob; Qi, Ji; Trejo Carrillo, Felipe de Jesus; Vaitkus, Antanas; Yu, Jusong; Zettel, Adam; de Castro, Pedro Baptista; Carlsson, Johan; Cerqueira, Tiago F. T.; Divilov, Simon; Hajiyani, Hamidreza; Hanke, Felix; Jose, Kevin; Oses, Corey; Riebesell, Janosh; Schmidt, Jonathan; Winston, Donald; Xie, Christen; Yang, Xiaoyu; Bonella, Sara; Botti, Silvana; Curtarolo, Stefano; Draxl, Claudia; Fuentes Cobas, Luis Edmundo; Hospital, Adam; Liu, Zi-Kui; Marques, Miguel A. L.; Marzari, Nicola; Morris, Andrew J.; Ong, Shyue Ping; Orozco, Modesto; Persson, Kristin A.; Thygesen, Kristian S.; Wolverton, Chris; Scheidgen, Markus; Toher, Cormac; Conduit, Gareth J.; Pizzi, Giovanni; Grazulis, Saulius; Rignanese, Gian-Marco; Armiento, Rickard Share Save Share Save PLBD: protein-ligand binding database of thermodynamic and kinetic intrinsic parametersLinge, Darius; Gedgaudas, Marius; Merkys, Andrius; Petrauskas, Vytautas; Vaitkus, Antanas; Grybauskas, Algirdas; Paketuryte, Vaida; Zubriene, Asta; Zaksauskas, Audrius; Mickeviciute, Aurelija; Smirnoviene, Joana; Baranauskiene, Lina; Capkauskaite, Edita; Dudutiene, Virginija; Urniezius, Ernestas; Konovalovas, Aleksandras; Kazlauskas, Egidijus; Shubin, Kirill; Schioeth, Helgi B.; Chen, Wen-Yih; Ladbury, John E.; Grazulis, Saulius; Matulis, Daumantas Share Save Share Save Share Save Share Save Beta and Gamma Amino Acid-Substituted Benzenesulfonamides as Inhibitors of Human Carbonic AnhydrasesBalandis, Benas; Simkunas, Tomas; Paketuryte-Latve, Vaida; Michailoviene, Vilma; Mickeviciute, Aurelija; Manakova, Elena; Grazulis, Saulius; Belyakov, Sergey; Kairys, Visvaldas; Mickevicius, Vytautas; Zubriene, Asta; Matulis, Daumantas Share Save Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key PrincipleDudutiene, Virginija; Zubriene, Asta; Kairys, Visvaldas; Smirnov, Alexey; Smirnoviene, Joana; Leitans, Janis; Kazaks, Andris; Tars, Kaspars; Manakova, Lena; Grazulis, Saulius; Matulis, Daumantas Share Save Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoformsZaksauskas, Audrius; Capkauskaite, Edita; Jezecikas, Linas; Linkuviene, Vaida; Paketuryte, Vaida; Smirnov, Alexey; Leitans, Janis; Kazaks, Andris; Dvinskis, Elviss; Manakova, Elena; Grazulis, Saulius; Tars, Kaspars; Matulis, Daumantas Share Save Thermodynamic, kinetic, and structural parameterization of human carbonic anhydrase interactions toward enhanced inhibitor designLinkuviene, Vaida; Zubriene, Asta; Manakova, Elena; Petrauskas, Vytautas; Baranauskiene, Lina; Zaksauskas, Audrius; Smirnov, Alexey; Grazulis, Saulius; Ladbury, John E.; Matulis, Daumantas Share Save Share Save Share Save Share Save Share Save Share Save Intrinsic Thermodynamics and Structures of 2,4-and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic AnhydrasesZubriene, Asta; Smirnov, Alexey; Dudutiene, Virginija; Timm, David D.; Matuliene, Jurgita; Michailoviene, Vilma; Zaksauskas, Audrius; Manakova, Elena; Grazulis, Saulius; Matulis, Daumantas Share Save 
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