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Martin Karplus

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TOP 3
Victor Ovchinnikov; Marco Cecchini; Martin Karplus
A simplified confinement method for calculating absolute free energies and free energy and entropy differences.
Victor Ovchinnikov; Martin Karplus
Analysis and elimination of a bias in targeted molecular dynamics simulations of conformational transitions: application to calmodulin.
Ganesan Karthikeyan; Sofia Barluenga; Martin Karplus; Claudio Zambaldo; Vincent Zoete; Nicolas Winssinger
Asymmetric synthesis of pochonin E and F, revision of their proposed structure, and their conversion to potent Hsp90 inhibitors.

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All Publications

2013: Victor Ovchinnikov; Marco Cecchini; Martin Karplus
A simplified confinement method for calculating absolute free energies and free energy and entropy differences.
The journal of physical chemistry. B 2013;117(3):750-62.
2012: Victor Ovchinnikov; Martin Karplus
Analysis and elimination of a bias in targeted molecular dynamics simulations of conformational transitions: application to calmodulin.
The journal of physical chemistry. B 2012;116(29):8584-603.
2012: Ganesan Karthikeyan; Sofia Barluenga; Martin Karplus; Claudio Zambaldo; Vincent Zoete; Nicolas Winssinger
Asymmetric synthesis of pochonin E and F, revision of their proposed structure, and their conversion to potent Hsp90 inhibitors.
Chemistry (Weinheim an der Bergstrasse, Germany) 2012;18(29):8978-86.
2011: Martin Karplus
Behind the folding funnel diagram.
Nature chemical biology 2011;7(7):401-4.
2011: Guobin Luo; Martin Karplus
Determining the conformational change that accompanies donor-acceptor distance fluctuations: an umbrella sampling analysis.
The journal of physical chemistry. B 2011;115(24):7991-5.
2011: Victor Ovchinnikov; Martin Karplus; Eric Vanden-Eijnden
Free energy of conformational transition paths in biomolecules: the string method and its application to myosin VI.
The Journal of chemical physics 2011;134(8):085103.
2010: Francesco Rao; Martin Karplus
Protein dynamics investigated by inherent structure analysis.
Proceedings of the National Academy of Sciences of the United States of America 2010;107(20):9152-7.
2010: Marco Cecchini; Yuri Alexeev; Martin Karplus
Pi release from myosin: a simulation analysis of possible pathways.
Structure (London, England : 1993) 2010;18(4):458-70.
2010: Martin Karplus
Dynamical aspects of molecular recognition.
Journal of molecular recognition : JMR 2010;23(2):102-4.
2010: Alison Grinthal; Ivana Adamovic; Beth Weiner; Martin Karplus; Nancy Kleckner
PR65, the HEAT-repeat scaffold of phosphatase PP2A, is an elastic connector that links force and catalysis.
Proceedings of the National Academy of Sciences of the United States of America 2010;107(6):2467-72.
2010: Andrei A Golosov; Joshua J Warren; Lorena S Beese; Martin Karplus
The mechanism of the translocation step in DNA replication by DNA polymerase I: a computer simulation analysis.
Structure (London, England : 1993) 2010;18(1):83-93.
2009: Kwangho Nam; Gregory L Verdine; Martin Karplus
Analysis of an anomalous mutant of MutM DNA glycosylase leads to new insights into the catalytic mechanism.
Journal of the American Chemical Society 2009;131(51):18208-9.
2009: Igor V Kalgin; Martin Karplus; Sergei F Chekmarev
Folding of a SH3 domain: standard and "hydrodynamic" analyses.
The journal of physical chemistry. B 2009;113(38):12759-72.
2009: Martin Spichty; Antoine Taly; Franz Hagn; Horst Kessler; Sofia Barluenga; Nicolas Winssinger; Martin Karplus
The HSP90 binding mode of a radicicol-like E-oxime determined by docking, binding free energy estimations, and NMR 15N chemical shifts.
Biophysical chemistry 2009;143(3):111-23.
2009: M Cecchini; Sergei V Krivov; M Spichty; Martin Karplus
Calculation of free-energy differences by confinement simulations. Application to peptide conformers.
The journal of physical chemistry. B 2009;113(29):9728-40.
2009: Paul Maragakis; Arjan van der Vaart; Martin Karplus
Gaussian-mixture umbrella sampling.
The journal of physical chemistry. B 2009;113(14):4664-73.
2008: Sergei V Krivov; Martin Karplus
Diffusive reaction dynamics on invariant free energy profiles.
Proceedings of the National Academy of Sciences of the United States of America 2008;105(37):13841-6.
2008: Sergei V Krivov; Stefanie Muff; Amedeo Caflisch; Martin Karplus
One-dimensional barrier-preserving free-energy projections of a beta-sheet miniprotein: new insights into the folding process.
The journal of physical chemistry. B 2008;112(29):8701-14.
2008: Paul Maragakis; Felix Ritort; Carlos Bustamante; Martin Karplus; Gavin E Crooks
Bayesian estimates of free energies from nonequilibrium work data in the presence of instrument noise.
The Journal of chemical physics 2008;129(2):024102.
2008: Paul Maragakis; Martin Spichty; Martin Karplus
A differential fluctuation theorem.
The journal of physical chemistry. B 2008;112(19):6168-74.
2008: Jingzhi Pu; Martin Karplus
How subunit coupling produces the gamma-subunit rotary motion in F1-ATPase.
Proceedings of the National Academy of Sciences of the United States of America 2008;105(4):1192-7.
2008: Sergei F Chekmarev; Andrey Yu Palyanov; Martin Karplus
Hydrodynamic description of protein folding.
Physical review letters 2008;100(1):018107.
2008: M Cecchini; A Houdusse; Martin Karplus
Allosteric communication in myosin V: from small conformational changes to large directed movements.
PLoS computational biology 2008;4(8):e1000129.
2007: Stefan Auer; Mark A Miller; Sergei V Krivov; Christopher M Dobson; Martin Karplus; Michele Vendruscolo
Importance of metastable states in the free energy landscapes of polypeptide chains.
Physical review letters 2007;99(17):178104.
2007: Yudong Wu; Yi Qin Gao; Martin Karplus
A kinetic model of coordinated myosin V.
Biochemistry 2007;46(21):6318-30.
2007: Yifei Kong; Martin Karplus
The signaling pathway of rhodopsin.
Structure (London, England : 1993) 2007;15(5):611-23.
2007: Arjan van der Vaart; Martin Karplus
Minimum free energy pathways and free energy profiles for conformational transitions based on atomistic molecular dynamics simulations.
The Journal of chemical physics 2007;126(16):164106.
2007: Andrey Yu Palyanov; Sergei V Krivov; Martin Karplus; Sergei F Chekmarev
A lattice protein with an amyloidogenic latent state: stability and folding kinetics.
The journal of physical chemistry. B 2007;111(10):2675-87.
2007: Andrei A Golosov; Martin Karplus
Probing polar solvation dynamics in proteins: a molecular dynamics simulation analysis.
The journal of physical chemistry. B 2007;111(6):1482-90.
2006: Sergei V Krivov; Martin Karplus
One-dimensional free-energy profiles of complex systems: progress variables that preserve the barriers.
The journal of physical chemistry. B 2006;110(25):12689-98.
2006: Guobin Luo; Ioan Andricioaei; X Sunney Xie; Martin Karplus
Dynamic distance disorder in proteins is caused by trapping.
The journal of physical chemistry. B 2006;110(19):9363-7.
2006: Ryan Bitetti-Putzer; Aaron R Dinner; WEI YANG; Martin Karplus
Conformational sampling via a self-regulating effective energy surface.
The Journal of chemical physics 2006;124(17):174901.
2006: Sergei F Chekmarev; Sergei V Krivov; Martin Karplus
Folding of ubiquitin: a simple model describes the strange kinetics.
The journal of physical chemistry. B 2006;110(17):8865-9.
2006: Paul Maragakis; Martin Spichty; Martin Karplus
Optimal estimates of free energies from multistate nonequilibrium work data.
Physical review letters 2006;96(10):100602.
2006: Yifei Kong; Jianpeng Ma; Martin Karplus; William N Lipscomb
The allosteric mechanism of yeast chorismate mutase: a dynamic analysis.
Journal of molecular biology 2006;356(1):237-47.
2006: Martin Karplus
Spinach on the ceiling: a theoretical chemist's return to biology.
Annual review of biophysics and biomolecular structure 2006;35():1-47.
2005: Georgios Archontis; Kimberly A Watson; Q Xie; G Andreou; Evangelia Chrysina; Spyros Zographos; Nikos G Oikonomakos; Martin Karplus
Glycogen phosphorylase inhibitors: a free energy perturbation analysis of glucopyranose spirohydantoin analogues.
Proteins 2005;61(4):984-98.
2005: Yi Qin Gao; WEI YANG; Martin Karplus
A structure-based model for the synthesis and hydrolysis of ATP by F1-ATPase.
Cell 2005;123(2):195-205.
2005: Vincent Zoete; Markus Meuwly; Martin Karplus
Study of the insulin dimerization: binding free energy calculations and per-residue free energy decomposition.
Proteins 2005;61(1):79-93.
2005: Paul Maragakis; Martin Karplus
Large amplitude conformational change in proteins explored with a plastic network model: adenylate kinase.
Journal of molecular biology 2005;352(4):807-22.
2005: Robert J Petrella; Martin Karplus
Electrostatic energies and forces computed without explicit interparticle interactions: a linear time complexity formulation.
Journal of computational chemistry 2005;26(8):755-87.
2005: Emilie Moulin; Vincent Zoete; Sofia Barluenga; Martin Karplus; Nicolas Winssinger
Design, synthesis, and biological evaluation of HSP90 inhibitors based on conformational analysis of radicicol and its analogues.
Journal of the American Chemical Society 2005;127(19):6999-7004.
2005: Martin Karplus; John Kuriyan
Molecular dynamics and protein function.
Proceedings of the National Academy of Sciences of the United States of America 2005;102(19):6679-85.
2005: Anirban Banerjee; WEI YANG; Martin Karplus; Gregory L Verdine
Structure of a repair enzyme interrogating undamaged DNA elucidates recognition of damaged DNA.
Nature 2005;434(7033):612-8.
2005: Sergei F Chekmarev; Sergei V Krivov; Martin Karplus
Folding time distributions as an approach to protein folding kinetics.
The journal of physical chemistry. B 2005;109(11):5312-30.
2005: Arjan van der Vaart; Martin Karplus
Simulation of conformational transitions by the restricted perturbation-targeted molecular dynamics method.
The Journal of chemical physics 2005;122(11):114903.
2005: Martin Karplus; Yi Qin Gao; Jianpeng Ma; Arjan van der Vaart; WEI YANG
Protein structural transitions and their functional role.
Philosophical transactions. Series A, Mathematical, physical, and engineering sciences 2005;363(1827):331-55; discussion 355-6.
2004: Shunzhou Wan; Roland H Stote; Martin Karplus
Calculation of the aqueous solvation energy and entropy, as well as free energy, of simple polar solutes.
The Journal of chemical physics 2004;121(19):9539-48.
2004: Sergei V Krivov; Martin Karplus
Hidden complexity of free energy surfaces for peptide (protein) folding.
Proceedings of the National Academy of Sciences of the United States of America 2004;101(41):14766-70.
2004: Vincent Zoete; Markus Meuwly; Martin Karplus
A comparison of the dynamic behavior of monomeric and dimeric insulin shows structural rearrangements in the active monomer.
Journal of molecular biology 2004;342(3):913-29.
2004: Ioan Andricioaei; Anita Goel; Dudley R Herschbach; Martin Karplus
Dependence of DNA polymerase replication rate on external forces: a model based on molecular dynamics simulations.
Biophysical journal 2004;87(3):1478-97.
2004: Arjan van der Vaart; Jianpeng Ma; Martin Karplus
The unfolding action of GroEL on a protein substrate.
Biophysical journal 2004;87(1):562-73.
2004: WEI YANG; Ryan Bitetti-Putzer; Martin Karplus
Chaperoned alchemical free energy simulations: a general method for QM, MM, and QM/MM potentials.
The Journal of chemical physics 2004;120(20):9450-3.
2004: Vincent Zoete; Markus Meuwly; Martin Karplus
Investigation of glucose binding sites on insulin.
Proteins 2004;55(3):568-81.
2004: Martin Karplus; Yi Qin Gao
Biomolecular motors: the F1-ATPase paradigm.
Current opinion in structural biology 2004;14(2):250-9.
2004: Robert J Petrella; Martin Karplus
The role of carbon-donor hydrogen bonds in stabilizing tryptophan conformations.
Proteins 2004;54(4):716-26.
2004: WEI YANG; Ryan Bitetti-Putzer; Martin Karplus
Free energy simulations: use of reverse cumulative averaging to determine the equilibrated region and the time required for convergence.
The Journal of chemical physics 2004;120(6):2618-28.
2003: 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 2003;17(12):861-80.
2003: Yi Qin Gao; WEI YANG; Rudolph A Marcus; Martin Karplus
A model for the cooperative free energy transduction and kinetics of ATP hydrolysis by F1-ATPase.
Proceedings of the National Academy of Sciences of the United States of America 2003;100(20):11339-44.
2003: Hong Guo; Qiang Cui; William N Lipscomb; Martin Karplus
Understanding the role of active-site residues in chorismate mutase catalysis from molecular-dynamics simulations.
Angewandte Chemie (International ed. in English) 2003;42(13):1508-11.
2003: Swarnalatha Y Reddy; Fabrice Leclerc; Martin Karplus
DNA polymorphism: a comparison of force fields for nucleic acids.
Biophysical journal 2003;84(3):1421-49.
2003: Martin Karplus
Molecular dynamics of biological macromolecules: a brief history and perspective.
Biopolymers 2003;68(3):350-8.
2003: Yaoqi Zhou; Hongyi Zhou; Martin Karplus
Cooperativity in Scapharca dimeric hemoglobin: simulation of binding intermediates and elucidation of the role of interfacial water.
Journal of molecular biology 2003;326(2):593-606.
2003: WEI YANG; Yi Qin Gao; Qiang Cui; Jianpeng Ma; Martin Karplus
The missing link between thermodynamics and structure in F1-ATPase.
Proceedings of the National Academy of Sciences of the United States of America 2003;100(3):874-9.
2003: Robert J Petrella; Ioan Andricioaei; Bernard Brooks; Martin Karplus
An improved method for nonbonded list generation: rapid determination of near-neighbor pairs.
Journal of computational chemistry 2003;24(2):222-31.
2002: Emanuele Paci; Michele Vendruscolo; Martin Karplus
Validity of Gō models: comparison with a solvent-shielded empirical energy decomposition.
Biophysical journal 2002;83(6):3032-8.
2002: Emanuelel Paci; Michele Vendruscolo; Christopher M Dobson; Martin Karplus
Determination of a transition state at atomic resolution from protein engineering data.
Journal of molecular biology 2002;324(1):151-63.
2002: Olivier Michielin; Vincent Zoete; Tiffany Malinky Gierasch; Jens Eckstein; Andrew Napper; Gregory L Verdine; Martin Karplus
Conformational analysis of a stereochemically complete set of cis-enediol peptide analogues.
Journal of the American Chemical Society 2002;124(37):11131-41.
2002: Martin Karplus; J Andrew McCammon
Molecular dynamics simulations of biomolecules.
Nature structural biology 2002;9(9):646-52.
2002: Markus Meuwly; Oren M Becker; Roland H Stote; Martin Karplus
NO rebinding to myoglobin: a reactive molecular dynamics study.
Biophysical chemistry 2002;98(1-2):183-207.
2002: Thomas Simonson; Georgios Archontis; Martin Karplus
Free energy simulations come of age: protein-ligand recognition.
Accounts of chemical research 2002;35(6):430-7.
2002: Qiang Cui; Martin Karplus
Quantum mechanics/molecular mechanics studies of triosephosphate isomerase-catalyzed reactions: effect of geometry and tunneling on proton-transfer rate constants.
Journal of the American Chemical Society 2002;124(12):3093-124.
2002: Sergei V Krivov; Sergei F Chekmarev; Martin Karplus
Potential energy surfaces and conformational transitions in biomolecules: a successive confinement approach applied to a solvated tetrapeptide.
Physical review letters 2002;88(3):038101.
2002: Vincent Zoete; Olivier Michielin; Martin Karplus
Relation between sequence and structure of HIV-1 protease inhibitor complexes: a model system for the analysis of protein flexibility.
Journal of molecular biology 2002;315(1):21-52.
2001: Emanuelel Paci; A Caflisch; A Plückthun; Martin Karplus
Forces and energetics of hapten-antibody dissociation: a biased molecular dynamics simulation study.
Journal of molecular biology 2001;314(3):589-605.
2001: R J Petrella; Martin Karplus
The energetics of off-rotamer protein side-chain conformations.
Journal of molecular biology 2001;312(5):1161-75.
2001: Hua Guo; Qiang Cui; William N Lipscomb; Martin Karplus
Substrate conformational transitions in the active site of chorismate mutase: their role in the catalytic mechanism.
Proceedings of the National Academy of Sciences of the United States of America 2001;98(16):9032-7.
2001: SS 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 2001;15(7):613-47.
2001: Georgios Archontis; Thomas Simonson; Martin Karplus
Binding free energies and free energy components from molecular dynamics and Poisson-Boltzmann calculations. Application to amino acid recognition by aspartyl-tRNA synthetase.
Journal of molecular biology 2001;306(2):307-27.
2000: Yaoqi Zhou; M Cook; Martin Karplus
Protein motions at zero-total angular momentum: the importance of long-range correlations.
Biophysical journal 2000;79(6):2902-8.
2000: Jianpeng Ma; P B Sigler; Zhaohui Xu; Martin Karplus
A dynamic model for the allosteric mechanism of GroEL.
Journal of molecular biology 2000;302(2):303-13.
2000: C M Stultz; Martin Karplus
Dynamic ligand design and combinatorial optimization: designing inhibitors to endothiapepsin.
Proteins 2000;40(2):258-89.
2000: E Paci; Martin Karplus
Unfolding proteins by external forces and temperature: the importance of topology and energetics.
Proceedings of the National Academy of Sciences of the United States of America 2000;97(12):6521-6.
2000: SS So; S P van Helden; V J van Geerestein; Martin Karplus
Quantitative structure-activity relationship studies of progesterone receptor binding steroids.
Journal of chemical information and computer sciences 2000;40(3):762-72.
1999: C M Stultz; Martin Karplus
MCSS functionality maps for a flexible protein.
Proteins 1999;37(4):512-29.
1999: Y Zhou; Martin Karplus
Folding of a model three-helix bundle protein: a thermodynamic and kinetic analysis.
Journal of molecular biology 1999;293(4):917-51.
1999: Y Zhou; Martin Karplus
Interpreting the folding kinetics of helical proteins.
Nature 1999;401(6751):400-3.
1999: A Blondel; Jean-Paul Renaud; S Fischer; Dino Moras; Martin Karplus
Retinoic acid receptor: a simulation analysis of retinoic acid binding and the resulting conformational changes.
Journal of molecular biology 1999;291(1):101-15.
1999: Aaron R Dinner; T Lazaridis; Martin Karplus
Understanding beta-hairpin formation.
Proceedings of the National Academy of Sciences of the United States of America 1999;96(16):9068-73.
1999: T Lazaridis; Martin Karplus
Discrimination of the native from misfolded protein models with an energy function including implicit solvation.
Journal of molecular biology 1999;288(3):477-87.
1999: Emanuelel Paci; Martin Karplus
Forced unfolding of fibronectin type 3 modules: an analysis by biased molecular dynamics simulations.
Journal of molecular biology 1999;288(3):441-59.
1999: Yaoqi Zhou; C K Hall; Martin Karplus
The calorimetric criterion for a two-state process revisited.
Protein science : a publication of the Protein Society 1999;8(5):1064-74.
1999: T Lazaridis; Martin Karplus
Effective energy function for proteins in solution.
Proteins 1999;35(2):133-52.
1999: SS 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 1999;13(3):243-58.
1999: T Lazaridis; Martin Karplus
Heat capacity and compactness of denatured proteins.
Biophysical chemistry 1999;78(1-2):207-17.
1999: Aaron R Dinner; VI Abkevich; Eugene I Shakhnovich; Martin Karplus
Factors that affect the folding ability of proteins.
Proteins 1999;35(1):34-40.
1999: Martin Karplus; J Janin
Comment on: 'The entropy cost of protein association'.
Protein engineering 1999;12(3):185-6; discussion 187.
1999: Yaoqi Zhou; D Vitkup; Martin Karplus
Native proteins are surface-molten solids: application of the Lindemann criterion for the solid versus liquid state.
Journal of molecular biology 1999;285(4):1371-5.
1998: Christian Bartels; Roland H Stote; Martin Karplus
Characterization of flexible molecules in solution: the RGDW peptide.
Journal of molecular biology 1998;284(5):1641-60.
1998: Jianpeng Ma; X Zheng; G Schnappauf; Gerhard H Braus; Martin Karplus; William N Lipscomb
Yeast chorismate mutase in the R state: simulations of the active site.
Proceedings of the National Academy of Sciences of the United States of America 1998;95(25):14640-5.
1998: Aaron R Dinner; SS So; Martin Karplus
Use of quantitative structure-property relationships to predict the folding ability of model proteins.
Proteins 1998;33(2):177-203.
1998: Herman van Vlijmen; M Schaefer; Martin Karplus
Improving the accuracy of protein pKa calculations: conformational averaging versus the average structure.
Proteins 1998;33(2):145-58.
1998: Jianpeng Ma; Martin Karplus
The allosteric mechanism of the chaperonin GroEL: a dynamic analysis.
Proceedings of the National Academy of Sciences of the United States of America 1998;95(15):8502-7.
1998: Aaron R Dinner; Martin Karplus
A metastable state in folding simulations of a protein model.
Nature structural biology 1998;5(3):236-41.
1998: Georgios Archontis; Thomas Simonson; Dino Moras; Martin Karplus
Specific amino acid recognition by aspartyl-tRNA synthetase studied by free energy simulations.
Journal of molecular biology 1998;275(5):823-46.
1998: Herman van Vlijmen; S Curry; M Schaefer; Martin Karplus
Titration calculations of foot-and-mouth disease virus capsids and their stabilities as a function of pH.
Journal of molecular biology 1998;275(2):295-308.
1998: R J Petrella; T Lazaridis; Martin Karplus
Protein sidechain conformer prediction: a test of the energy function.
Folding & design 1998;3(5):353-77.
1997: Y Zhou; Martin Karplus
Folding thermodynamics of a model three-helix-bundle protein.
Proceedings of the National Academy of Sciences of the United States of America 1997;94(26):14429-32.
1997: SS So; Martin Karplus
Three-dimensional quantitative structure-activity relationships from molecular similarity matrices and genetic neural networks. 2. Applications.
Journal of medicinal chemistry 1997;40(26):4360-71.
1997: SS So; Martin Karplus
Three-dimensional quantitative structure-activity relationships from molecular similarity matrices and genetic neural networks. 1. Method and validations.
Journal of medicinal chemistry 1997;40(26):4347-59.
1997: T Lazaridis; Martin Karplus
"New view" of protein folding reconciled with the old through multiple unfolding simulations.
Science (New York, N.Y.) 1997;278(5345):1928-31.
1997: T Lazaridis; I Lee; Martin Karplus
Dynamics and unfolding pathways of a hyperthermophilic and a mesophilic rubredoxin.
Protein science : a publication of the Protein Society 1997;6(12):2589-605.
1997: Jianpeng Ma; Martin Karplus
Ligand-induced conformational changes in ras p21: a normal mode and energy minimization analysis.
Journal of molecular biology 1997;274(1):114-31.
1997: Jianpeng Ma; Martin Karplus
Molecular switch in signal transduction: reaction paths of the conformational changes in ras p21.
Proceedings of the National Academy of Sciences of the United States of America 1997;94(22):11905-10.
1997: M Watanabe; Jürg P Rosenbusch; Tilman Schirmer; Martin Karplus
Computer simulations of the OmpF porin from the outer membrane of Escherichia coli.
Biophysical journal 1997;72(5):2094-102.
1997: Herman van Vlijmen; Martin Karplus
PDB-based protein loop prediction: parameters for selection and methods for optimization.
Journal of molecular biology 1997;267(4):975-1001.
1997: Martin Karplus
The Levinthal paradox: yesterday and today.
Folding & design 1997;2(4):S69-75.
1996: SS So; Martin Karplus
Genetic neural networks for quantitative structure-activity relationships: improvements and application of benzodiazepine affinity for benzodiazepine/GABAA receptors.
Journal of medicinal chemistry 1996;39(26):5246-56.
1982: R M Levy; D Perahia; Martin Karplus
Molecular dynamics of an alpha-helical polypeptide: Temperature dependence and deviation from harmonic behavior.
Proceedings of the National Academy of Sciences of the United States of America 1982;79(4):1346-50.