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Journal of Computer-Aided Molecular Design|April 6, 2001
QSAR study and VolSurf characterization of anti-HIV quinolone libraryE Filipponi, G Cruciani, O Tabarrini, et al.Journal of Computer-Aided Molecular Design|March 29, 2001
The configurational dependence of binding free energies: a Poisson-Boltzmann study of Neuraminidase inhibitorsC J Woods, M A King, J W EssexJournal of Computer-Aided Molecular Design|March 29, 2001
A theoretical approach to the influence of the macrocycle conformation on the molecular electronic structure in Mg-porphyrinsL A Poveda, V R Ferro, J M García de la Vega, et al.Journal of Computer-Aided Molecular Design|February 24, 2001
Screening the molecular surface of human anticoagulant protein C: a search for interaction sitesB O Villoutreix, D G Covell, A M Blom, et al.Journal of Computer-Aided Molecular Design|August 2, 2000
Factor Xa: simulation studies with an eye to inhibitor designX Daura, E Haaksma, W F van GunsterenJournal of Computer-Aided Molecular Design|August 2, 2000
Computer-aided design and activity prediction of leucine aminopeptidase inhibitorsJ Grembecka, W A Sokalski, P KafarskiJournal of Computer-Aided Molecular Design|August 29, 2002
3D hydrogen bond thermodynamics (HYBOT) potentials in molecular modellingOleg A Raevsky, Vladlen S SkvortsovJournal of Computer-Aided Molecular Design|August 22, 2002
Can we separate active from inactive conformations?David J Diller, Kenneth M MerzJournal of Computer-Aided Molecular Design|August 22, 2002
Internally defined distances in 3D-quantitative structure-activity relationshipsChristian Th Klein, Norbert Kaiblinger, Peter WolschannJournal of Computer-Aided Molecular Design|November 2, 2001
Developing 13C NMR quantitative spectrometric data-activity relationship (QSDAR) models of steroid binding to the corticosteroid binding globulinR D Beger, J G WilkesPageof 263