Martin Karplus

	2009
20		Bernard R. Brooks, Charles L. Brooks III, Alexander D. MacKerell Jr., L. Nilsson, Robert J. Petrella, Benoît Roux, Y. Won, G. Archontis, Christian Bartels, S. Boresch, Amedeo Caflisch, Leo S. D. Caves, Qiang Cui, Aaron R. Dinner, Michael Feig, S. Fischer, Jiali Gao, Milan Hodoscek, Wonpil Im, Krzysztof Kuczera, Themis Lazaridis, J. Ma, V. Ovchinnikov, Emanuele Paci, Richard W. Pastor, C. B. Post, J. Z. Pu, Michael Schaefer, Bruce Tidor, Richard M. Venable, H. Lee Woodcock III, X. Wu, W. Yang, Darrin M. York, Martin Karplus: CHARMM: The biomolecular simulation program. Journal of Computational Chemistry 30(10): 1545-1614 (2009)
	2008
19		M. Cecchini, A. Houdusse, Martin Karplus: Allosteric Communication in Myosin V: From Small Conformational Changes to Large Directed Movements. PLoS Computational Biology 4(8): (2008)
	2005
18		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		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		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		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		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		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		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		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		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		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		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		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	G. Archontis	[20]
3	Christian Bartels	[8] [14] [20]
4	Ryan Bitetti-Putzer	[13]
5	Arnaud Blondel	[6]
6	S. Boresch	[20]
7	Bernard R. Brooks	[4] [17] [20]
8	Charles L. Brooks III	[20]
9	Amedeo Caflisch	[7] [10] [20]
10	Leo S. D. Caves	[20]
11	M. Cecchini	[19]
12	Qiang Cui	[16] [20]
13	Aaron R. Dinner	[20]
14	Marcus Elstner	[16]
15	Michael Feig	[20]
16	S. Fischer	[20]
17	Stefan Fischer	[7]
18	Thomas Frauenheim	[16]
19	Jiali Gao	[20]
20	Vincent J. van Geerestein	[11]
21	Peter D. J. Grootenhuis	[5]
22	Steven P. van Helden	[11]
23	Milan Hodoscek	[20]
24	James M. Hogle	[13]
25	A. Houdusse	[19]
26	Wonpil Im	[20]
27	Dusanka Janezic	[2] [3] [4]
28	Diane Joseph-McCarthy	[13]
29	Efthimios Kaxiras	[16]
30	Krzysztof Kuczera	[20]
31	Themis Lazaridis	[20]
32	Fabrice Leclerc	[14]
33	J. Ma	[20]
34	Alexander D. MacKerell Jr.	[20]
35	Olivier Michielin	[15]
36	Petra Munih	[16]
37	L. Nilsson	[20]
38	V. Ovchinnikov	[20]
39	Emanuele Paci	[20]
40	Richard W. Pastor	[20]
41	Robert J. Petrella	[17] [18] [20]
42	C. B. Post	[20]
43	J. Z. Pu	[20]
44	Benoît Roux	[1] [20]
45	Michael Schaefer	[14] [20]
46	Hans J. Schramm	[10]
47	Sung-Sau So	[9] [11] [12]
48	Bruce Tidor	[20]
49	Richard M. Venable	[2] [20]
50	Y. Won	[20]
51	H. Lee Woodcock III	[20]
52	X. Wu	[20]
53	W. Yang	[20]
54	Darrin M. York	[20]
55	Vincent Zoete	[15]

Colors in the list of coauthors

Last update Fri Jun 1 15:44:53 2012 CET by the DBLP Team — Data released under the ODC-BY 1.0 license — See also our legal information page