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Journal of Computer-Aided Molecular Design|September 1, 1989
A molecular modelling study of the interaction of noradrenaline with the beta 2-adrenergic receptorT J Mitchell, M S Tute, G A WebbJournal of Computer-Aided Molecular Design|December 21, 2014
A comparative study of family-specific protein-ligand complex affinity prediction based on random forest approachYu Wang, Yanzhi Guo, Qifan Kuang, et al.Journal of Computer-Aided Molecular Design|December 3, 2014
Continuous indicator fields: a novel universal type of molecular fieldsGleb V Sitnikov, Nelly I Zhokhova, Yury A Ustynyuk, et al.Journal of Computer-Aided Molecular Design|July 9, 2014
Design of an activity landscape view taking compound-based feature probabilities into accountBijun Zhang, Martin Vogt, Jürgen BajorathJournal of Computer-Aided Molecular Design|July 29, 2017
Molden 2.0: quantum chemistry meets proteinsGijs Schaftenaar, Elias Vlieg, Gert VriendJournal of Computer-Aided Molecular Design|August 3, 2017
Ranking docking poses by graph matching of protein-ligand interactions: lessons learned from the D3R Grand Challenge 2Priscila da Silva Figueiredo Celestino Gomes, Franck Da Silva, Guillaume Bret, et al.Journal of Computer-Aided Molecular Design|June 15, 2016
Ring system-based chemical graph generation for de novo molecular designTomoyuki Miyao, Hiromasa Kaneko, Kimito FunatsuJournal of Computer-Aided Molecular Design|January 1, 1989
Upperbound procedures for the identification of similar three-dimensional chemical structuresA T Brint, P WillettJournal of Computer-Aided Molecular Design|March 1, 1989
A theoretical study of Zn++ interacting with models of ligands present at the thermolysin active siteC Giessner-Prettre, O JacobJournal of Computer-Aided Molecular Design|December 6, 2017
D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energiesZied Gaieb, Shuai Liu, Symon Gathiaka, et al.Pageof 265