Martin Karplus

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

Coauthor Index

1	Ioan Andricioaei	[17]
2	Christian Bartels	[8] [14]
3	Ryan Bitetti-Putzer	[13]
4	Arnaud Blondel	[6]
5	Bernard R. Brooks	[4] [17]
6	Amedeo Caflisch	[7] [10]
7	Qiang Cui	[16]
8	Marcus Elstner	[16]
9	Stefan Fischer	[7]
10	Thomas Frauenheim	[16]
11	Vincent J. van Geerestein	[11]
12	Peter D. J. Grootenhuis	[5]
13	Steven P. van Helden	[11]
14	James M. Hogle	[13]
15	Dusanka Janezic	[2] [3] [4]
16	Diane Joseph-McCarthy	[13]
17	Efthimios Kaxiras	[16]
18	Fabrice Leclerc	[14]
19	Olivier Michielin	[15]
20	Petra Munih	[16]
21	Robert J. Petrella	[17] [18]
22	Benoît Roux	[1]
23	Michael Schaefer	[14]
24	Hans J. Schramm	[10]
25	Sung-Sau So	[9] [11] [12]
26	Richard M. Venable	[2]
27	Vincent Zoete	[15]

Colors in the list of coauthors