Journal: Journal of Computer-Aided Molecular Design

Volume 12, Issue 2

99 -- 110Roy J. Vaz, Larry R. McLean, John T. Pelton. Evaluation of proposed modes of binding of (2S)-2-[4-[[(3S)-1-acetimidoyl-3-pyrrolidinyl]oxy]phenyl]-3-(7-amidino-2-naphthyl)propanoic acid hydrochloride and some analogs to Factor Xa using a comparative molecular field analysis
111 -- 118Marta Filizola, Juan J. Perez, Maria Cartenì-Farina. BUNDLE: A program for building the transmembrane domains of G-protein-coupled receptors
119 -- 131John Marelius, Malin Graffner-Nordberg, Tomas Hansson, Anders Hallberg, Johan Åqvist. Computation of affinity and selectivity: Binding of 2, 4-diaminopteridine and 2, 4-diaminoquinazoline inhibitors to dihydrofolate reductases
133 -- 146Traian Sulea, Ludovic Kurunczi, Tudor I. Oprea, Zeno Simon. MTD-ADJ: A multiconformational minimal topologic difference for determining bioactive conformers using adjusted biological activities
147 -- 163Samuel Petit, Frédéric Brard, Gérard Coquerel, Guy Perez, François Tron. Structural models of antibody variable fragments: A method for investigating binding mechanisms
165 -- 181John R. Woolfrey, Mitchell A. Avery, Arthur M. Doweyko. Comparison of 3D quantitative structure-activity relationship methods: Analysis of the in vitro antimalarial activity of 154 artemisinin analogues by hypothetical active-site lattice and comparative molecular field analysis
183 -- 193Marcel J. de Groot, Remco W. A. Havenith, H. Maarten Vinkers, Renate Zwaans, Nico P. E. Vermeulen, Joop H. van Lenthe. Ab initio calculations on iron-porphyrin model systems for intermediates in the oxidative cycle of cytochrome P450s
195 -- 213Louis Carlacci. Conformational analysis of [Met5]-enkephalin: Solvation and ionization considerations