Journal: Journal of Computer-Aided Molecular Design

Volume 12, Issue 3

215 -- 227Randall J. Radmer, Peter A. Kollman. The application of three approximate free energy calculations methods to structure based ligand design: Trypsin and its complex with inhibitors
229 -- 240Anton V. Filikov, Thomas L. James. Structure-based design of ligands for protein basic domains: Application to the HIV-1 Tat protein
241 -- 257Fabio Zuccotto, Andrew C. R. Martin, Roman A. Laskowski, Janet M. Thornton, Ian H. Gilbert. Dihydrofolate reductase: A potential drug target in trypanosomes and leishmania
259 -- 273Carlos Alemán, Jordi Casanovas, Sérgio E. Galembeck. PAPQMD parametrization of molecular systems with cyclopropyl rings: Conformational study of homopeptides constituted by 1-aminocyclopropane-1-carboxylic acid
275 -- 287Cezary Czaplewski, Rajmund Kazmierkiewicz, Jerzy Ciarkowski. Molecular modeling of the human vasopressin V2 receptor/agonist complex
289 -- 299André H. Juffer, Hans J. Vogel. A flexible triangulation method to describe the solvent-accessible surface of biopolymers
301 -- 307Martti Ovaska, Ari Yliniemelä. A semiempirical study on inhibition of catechol O-methyltransferase by substituted catechols