How Does the Methodology of 3D Structure Preparation Influence the Quality of pKa Prediction?
Geidl, Stanislav, Svobodová Vařeková, Radka, Bendová, Veronika, Petrusek, Lukáš, Ionescu, Crina-Maria, Jurka, Zdeněk, Abagyan, Ruben, Koča, Jaroslav
Published in Journal of chemical information and modeling (22.06.2015)
Published in Journal of chemical information and modeling (22.06.2015)
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Journal Article
How Does the Methodology of 3D Structure Preparation Influence the Quality of pK a Prediction?
Geidl, Stanislav, Svobodová Vařeková, Radka, Bendová, Veronika, Petrusek, Lukáš, Ionescu, Crina-Maria, Jurka, Zdeněk, Abagyan, Ruben, Koča, Jaroslav
Published in Journal of chemical information and modeling (01.06.2015)
Published in Journal of chemical information and modeling (01.06.2015)
Get full text
Journal Article
How Does the Methodology of 3D Structure Preparation Influence the Quality of pK^sub a^ Prediction?
Geidl, Stanislav, Vareková, Radka Svobodová, Bendová, Veronika, Petrusek, Luká, Ionescu, Crina-Maria, Jurka, Zdenek, Abagyan, Ruben, Koca, Jaroslav
Published in Journal of chemical information and modeling (22.06.2015)
Get full text
Published in Journal of chemical information and modeling (22.06.2015)
Journal Article
How Does the Methodology of 3D Structure Preparation Influence the Quality of p K a Prediction?
Geidl, Stanislav, Svobodová Vařeková, Radka, Bendová, Veronika, Petrusek, Lukáš, Ionescu, Crina-Maria, Jurka, Zdeněk, Abagyan, Ruben, Koča, Jaroslav
Published in Journal of chemical information and modeling (22.06.2015)
Published in Journal of chemical information and modeling (22.06.2015)
Get full text
Journal Article