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Journal of Computer-Aided Molecular Design|August 8, 2013
Detection of tautomer proportions of dimedone in solution: a new approach based on theoretical and FT-IR viewpointSedat Karabulut, Hilmi Namli, Jerzy LeszczynskiJournal of Computer-Aided Molecular Design|August 27, 2013
Experimental versus predicted affinities for ligand binding to estrogen receptor: iterative selection and rescoring of docked poses systematically improves the correlationJames S Wright, James M Anderson, Hooman Shadnia, et al.Journal of Computer-Aided Molecular Design|June 6, 2013
ClogP(alk): a method for predicting alkane/water partition coefficientPeter W Kenny, Carlos A Montanari, Igor M ProkopczykJournal of Computer-Aided Molecular Design|April 25, 2013
In silico model for P-glycoprotein substrate prediction: insights from molecular dynamics and in vitro studiesRameshwar Prajapati, Udghosh Singh, Abhijeet Patil, et al.Journal of Computer-Aided Molecular Design|June 18, 2013
Approaching the 5-HT₃ receptor heterogeneity by computational studies of the transmembrane and intracellular domainsMarta Del Cadia, Francesca De Rienzo, Maria Cristina MenzianiJournal of Computer-Aided Molecular Design|July 11, 2013
eFindSite: improved prediction of ligand binding sites in protein models using meta-threading, machine learning and auxiliary ligandsMichal Brylinski, Wei P FeinsteinJournal of Computer-Aided Molecular Design|June 29, 2013
Protein pocket and ligand shape comparison and its application in virtual screeningMatthias Wirth, Andrea Volkamer, Vincent Zoete, et al.Journal of Computer-Aided Molecular Design|July 2, 2013
On homology modeling of the M₂ muscarinic acetylcholine receptor subtypeJan Jakubík, Alena Randáková, Vladimír DoležalJournal of Computer-Aided Molecular Design|April 13, 2013
Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichmentsG Madhavi Sastry, Matvey Adzhigirey, Tyler Day, et al.Journal of Computer-Aided Molecular Design|May 30, 2013
IS-Dom: a dataset of independent structural domains automatically delineated from protein structuresTeppei Ebina, Yuki Umezawa, Yutaka KurodaPageof 264