Functionality map analysis of the active site cleft of human thrombin Peter D. J. GrootenhuisMartin Karplus Research Papers Pages: 1 - 10
Structure of a cyclic peptide with a catalytic triad, determined by computer simulation and NMR spectroscopy Björn WalseMagnus UllnerOlle Teleman Research Papers Pages: 11 - 22
Calculation of solvation and binding free energy differences between VX-478 and its analogs by free energy perturbation and AMSOL methods B. G. RaoE. E. KimM. A. Murcko Research Papers Pages: 23 - 30
Molecular modelling and conformational analysis of a GABAB antagonist Bernard PirardFrançois Durant Research Papers Pages: 31 - 40
Placement of medium-sized molecular fragments into active sites of proteins Matthias RareyStephan WefingThomas Lengauer Research Papers Pages: 41 - 54
Similarity and complementarity of molecular shapes: Applicability of a topological analysis approach Laurence LeherteThibaud LatourDaniel P. Vercauteren Research Papers Pages: 55 - 66
Determination of receptor-bound drug conformations by QSAR using flexible fitting to derive a molecular similarity index C. A. MontanariM. S. TuteJ. C. Mitchell Research Papers Pages: 67 - 73
Comparative molecular field analysis of non-steroidal aromatase inhibitors related to fadrozole Maurizio Recanatini Research Papers Pages: 74 - 82
Solution conformation by NMR and molecular modeling of three sulfide-free somatostatin octapeptide analogs compared to angiopeptin Philippe HennigEric RaimbaudJean-Luc Fauchère Short Communications Pages: 83 - 86