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Journal of Computer-Aided Molecular Design|January 11, 2017
CADD medicine: design is the potion that can cure my diseaseEric S Manas, Darren V S GreenJournal of Computer-Aided Molecular Design|April 17, 2014
QSPR ensemble modelling of the 1:1 and 1:2 complexation of Co²⁺, Ni²⁺, and Cu²⁺ with organic ligands: relationships between stability constantsVitaly Solov'ev, Alexandre Varnek, Aslan TsivadzeJournal of Computer-Aided Molecular Design|February 21, 2014
Prospective virtual screening for novel p53-MDM2 inhibitors using ultrafast shape recognitionSachin P Patil, Pedro J Ballester, Cassidy R KerezsiJournal of Computer-Aided Molecular Design|May 3, 2014
A functional feature analysis on diverse protein-protein interactions: application for the prediction of binding affinityJiesi Luo, Yanzhi Guo, Yun Zhong, et al.Journal of Computer-Aided Molecular Design|March 18, 2014
Efficient calculation of SAMPL4 hydration free energies using OMEGA, SZYBKI, QUACPAC, and Zap TKBenjamin A Ellingson, Matthew T Geballe, Stanislaw Wlodek, et al.Journal of Computer-Aided Molecular Design|October 4, 2016
D3R grand challenge 2015: Evaluation of protein-ligand pose and affinity predictionsSymon Gathiaka, Shuai Liu, Michael Chiu, et al.Journal of Computer-Aided Molecular Design|September 17, 2014
Predicted 3D structures of olfactory receptors with details of odorant binding to OR1G1Soo-Kyung Kim, William A GoddardJournal of Computer-Aided Molecular Design|October 10, 2014
Seeking potential anticonvulsant agents that target GABAA receptors using experimental and theoretical proceduresMargarita Virginia Saavedra-Vélez, José Correa-Basurto, Myrna H Matus, et al.Journal of Computer-Aided Molecular Design|October 15, 2014
Identification of novel inhibitors of human Chk1 using pharmacophore-based virtual screening and their evaluation as potential anti-cancer agentsVikash Kumar, Saman Khan, Priyanka Gupta, et al.Journal of Computer-Aided Molecular Design|October 18, 2014
Intermediate states in the binding process of folic acid to folate receptor α: insights by molecular dynamics and metadynamicsStefano Della-Longa, Alessandro ArcovitoPageof 263