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Journal of Computer-Aided Molecular Design|October 1, 1995
PRO_LIGAND: an approach to de novo molecular design. 6. Flexible fitting in the design of peptidesC W Murray, D E Clark, D G ByrneJournal of Computer-Aided Molecular Design|October 1, 1995
Enhancing the diversity of a corporate database using chemical database clustering and analysisN E Shemetulskis, J B Dunbar, B W Dunbar, et al.Journal of Computer-Aided Molecular Design|October 1, 1995
Conformational behaviour of the antineoplastic peptide dolastatin-10 and of two mutated derivativesP Fantucci, T Marino, N Russo, et al.Journal of Computer-Aided Molecular Design|October 1, 1995
The atom assignment problem in automated de novo drug design. 4. Tests for site-directed fragment placement based on molecular complementarityM T Barakat, P M DeanJournal of Computer-Aided Molecular Design|February 1, 1996
Functionality map analysis of the active site cleft of human thrombinP D Grootenhuis, M KarplusJournal of Computer-Aided Molecular Design|February 1, 1996
Calculation of solvation and binding free energy differences between VX-478 and its analogs by free energy perturbation and AMSOL methodsB G Rao, E E Kim, M A MurckoJournal of Computer-Aided Molecular Design|February 1, 1996
Comparative molecular field analysis of non-steroidal aromatase inhibitors related to fadrozoleM RecanatiniJournal of Computer-Aided Molecular Design|August 31, 2025
Discovery of a reversible ALDH1A3 inhibitor throwugh a consensus docking-based virtual screening studyE Batlle, R Pequerul, J Farrés, et al.Journal of Computer-Aided Molecular Design|April 22, 2010
Computational studies on the interaction of ABO-active saccharides with the norovirus VA387 capsid protein can explain experimental binding dataChaitanya A K Koppisetty, Waqas Nasir, Francesco Strino, et al.Journal of Computer-Aided Molecular Design|April 30, 2010
Overview of the perspectives devoted to tautomerism in molecular designYvonne Connolly MartinPageof 265