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Publications of Author

1. Amedeo Caflisch, Hans J. Schramm, Martin Karplus
   Design of dimerization inhibitors of HIV-1 aspartic proteinase: A computer-based combinatorial approach. [Citation Graph (0, 0)][DBLP]
   Journal of Computer-Aided Molecular Design, 2000, v:14, n:2, pp:161-179 [Journal]
   
2. Ryan Bitetti-Putzer, Diane Joseph-McCarthy, James M. Hogle, Martin Karplus
   Functional group placement in protein binding sites: a comparison of GRID and MCSS. [Citation Graph (0, 0)][DBLP]
   Journal of Computer-Aided Molecular Design, 2001, v:15, n:10, pp:935-960 [Journal]
   
3. Sung-Sau So, Martin Karplus
   Evaluation of designed ligands by a multiple screening method: Application to glycogen phosphorylase inhibitors constructed with a variety of approaches. [Citation Graph (0, 0)][DBLP]
   Journal of Computer-Aided Molecular Design, 2001, v:15, n:7, pp:613-647 [Journal]
   
4. Peter D. J. Grootenhuis, Martin Karplus
   Functionality map analysis of the active site cleft of human thrombin. [Citation Graph (0, 0)][DBLP]
   Journal of Computer-Aided Molecular Design, 1996, v:10, n:1, pp:1-10 [Journal]
   
5. Sung-Sau So, Martin Karplus
   A comparative study of ligand-receptor complex binding affinity prediction methods based on glycogen phosphorylase inhibitors. [Citation Graph (0, 0)][DBLP]
   Journal of Computer-Aided Molecular Design, 1999, v:13, n:3, pp:243-258 [Journal]
   
6. Vincent Zoete, Olivier Michielin, Martin Karplus
   Protein-ligand binding free energy estimation using molecular mechanics and continuum electrostatics. Application to HIV-1 protease inhibitors. [Citation Graph (0, 0)][DBLP]
   Journal of Computer-Aided Molecular Design, 2003, v:17, n:12, pp:861-880 [Journal]
   
7. Christian Bartels, Martin Karplus
   Multidimensional adaptive umbrella sampling: Applications to main chain and side chain peptide conformations. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 1997, v:18, n:12, pp:1450-1462 [Journal]
   
8. Arnaud Blondel, Martin Karplus
   New formulation for derivatives of torsion angles and improper torsion angles in molecular mechanics: Elimination of singularities. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 1996, v:17, n:9, pp:1132-1141 [Journal]
   
9. Bernard R. Brooks, Dusanka Janezic, Martin Karplus
   Harmonic Analysis of Large Systems. I. Methodology. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 1995, v:16, n:12, pp:1522-1542 [Journal]
   
10. Amedeo Caflisch, Stefan Fischer 0004, Martin Karplus
    Docking by Monte Carlo minimization with a solvation correction: Application to an FKBP - substrate complex. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:6, pp:723-743 [Journal]
    
11. Marcus Elstner, Qiang Cui, Petra Munih, Efthimios Kaxiras, Thomas Frauenheim, Martin Karplus
    Modeling zinc in biomolecules with the self consistent charge-density functional tight binding (SCC-DFTB) method: Applications to structural and energetic analysis. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2003, v:24, n:5, pp:565-581 [Journal]
    
12. Dusanka Janezic, Martin Karplus
    Harmonic Analysis of Large Systems. II. Comaprison of Different Protein Models. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1995, v:16, n:12, pp:1543-1553 [Journal]
    
13. Dusanka Janezic, Richard M. Venable, Martin Karplus
    Harmonic Analysis of Large Systems. III. Comparison with Molecular Dynamics. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1995, v:16, n:12, pp:1554-1568 [Journal]
    
14. Robert J. Petrella, Ioan Andricioaei, Bernard R. Brooks, Martin Karplus
    An improved method for nonbonded list generation: Rapid determination of near-neighbor pairs. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2003, v:24, n:2, pp:222-231 [Journal]
    
15. Robert J. Petrella, Martin Karplus
    Electrostatic energies and forces computed without explicit interparticle interactions: A linear time complexity formulation. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2005, v:26, n:8, pp:755-787 [Journal]
    
16. Benoît Roux, Martin Karplus
    Potential Energy Function for Cation-Peptide Interactions: An Ab Initio Study. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1995, v:16, n:6, pp:690-704 [Journal]
    
17. Michael Schaefer, Christian Bartels, Fabrice Leclerc, Martin Karplus
    Effective atom volumes for implicit solvent models: comparison between Voronoi volumes and minimum fluctuation volumes. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2001, v:22, n:15, pp:1857-1879 [Journal]
    
18. Sung-Sau So, Steven P. van Helden, Vincent J. van Geerestein, Martin Karplus
    Quantitative Structure-Activity Relationship Studies of Progesterone Receptor Binding Steroids. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Computer Sciences, 2000, v:40, n:3, pp:762-772 [Journal]