Journal of Computer-Aided Molecular Design

3D QSAR studies on binding affinities of coumarin natural products for glycosomal GAPDH of Trypanosoma cruzi
pp. 277-290(14)
Authors: Menezes, I.R.A.; Lopes, J.C.D.; Montanari, C.A.; Oliva, G.; Pavão, F.; Castilho, M.S.; Vieira, P.C.; Pupo, M.T.

MCASE study of the multidrug resistance reversal activity of propafenone analogs
pp. 291-297(7)
Authors: Klopman, G.; Zhu, H.; Ecker, G.; Chiba, P.

Comparative binding energy analysis of haloalkane dehalogenase substrates: Modelling of enzyme-substrate complexes by molecular docking and quantum mechanical calculations
pp. 299-311(13)
Authors: Kmuníček, J.; Boháč, M.; Luengo, S.; Gago, F.; Wade, R.C.; Damborský, J.

CoMFA and docking study of novel estrogen receptor subtype selective ligands
pp. 313-328(16)
Authors: Wolohan, P.; Reichert, D.E.

2-Pyridone and 3-oxo-1,2,6-thiadiazine-1,1-dioxide derivatives: a new class of hydrogen bond equivalents of uracil
pp. 329-334(6)
Authors: Kawahara, S-i.; Uchimaru, T.; Taira, K.

ANVAS: Artificial Neural Variables Adaptation System for descriptor selection
pp. 335-346(12)
Authors: Mazzatorta, P.; Vračko, M.; Benfenati, E.

Evaluation of extended parameter sets for the 3D-QSAR technique MaP: Implications for interpretability and model quality exemplified by antimalarially active naphthylisoquinoline alkaloids
pp. 347-365(19)
Authors: Stiefl, N.; Bringmann, G.; Rummey, C.; Baumann, K.

Molecular model of the neural dopamine transporter
pp. 367-382(16)
Authors: Ravna, A.W.; Sylte, I.; Dahl, S.G.

Binding of α-hydroxy-β-amino acid inhibitors to methionine aminopeptidase. The performance of two types of scoring functions
pp. 383-397(15)
Authors: Jørgensen, A.T.; Sørensen, M.D.; Björkling, F.; Liljefors, T.