Publications

Pezzella, M. und Meuwly, M. (2019) «O-2 formation in cold environments», Physical Chemistry Chemical Physics. Royal Society of Chemistry, 21(11), S. 6247-6255. doi: 10.1039/c8cp07474g.   edoc | Open Access
Hédin, F., El Hage, K. und Meuwly, M. (2017) «Correction to A Toolkit to Fit Nonbonded Parameters from and for Condensed Phase Simulations», Journal of Chemical Information and Modeling. American Chemical Society , 57(1), S. 102-103. doi: 10.1021/acs.jcim.6b00777.   edoc
Denis-Alpizar, O., Bemish, R. J. und Meuwly, M. (2017) «Reactive collisions for NO((2)Π) + N((4)S) at temperatures relevant to the hypersonic flight regime», Physical Chemistry Chemical Physics. Royal Society of Chemistry, 19(3), S. 2392-2401. doi: 10.1039/c6cp07142b.   edoc | Open Access
El Hage, K., Pandyarajan, V., Phillips, N. B., Smith, B. J., Menting, J. G., Whittaker, J., Lawrence, M. C., Meuwly, M. und Weiss, M. A. (2016) «Extending Halogen-based Medicinal Chemistry to Proteins: IODO-INSULIN AS A CASE STUDY», Journal of Biological Chemistry. American Society for Biochemistry and Molecular Biology , 291(53), S. 27023-27041. doi: 10.1074/jbc.M116.761015.   edoc | Open Access
Das, A. K., Solomon, R. V., Hofmann, F. und Meuwly, M. (2016) «Inner-Shell Water Rearrangement Following Photoexcitation of Tris(2,2’-bipyridine)iron(II)», Journal of Physical Chemistry B. American Chemical Society, 120(1), S. 206-216. doi: 10.1021/acs.jpcb.5b10980.   edoc
Yosa Reyes, J., Brickel, S., Unke, O. T., Nagy, T. und Meuwly, M. (2016) «HSO3Cl: a prototype molecule for studying OH-stretching overtone induced photodissociation», Physical Chemistry Chemical Physics. Royal Society of Chemistry, 18(9), S. 6780-6788. doi: 10.1039/c5cp07319g.   edoc | Open Access
Gupta, P. K. und Meuwly, M. (2016) «Ligand and interfacial dynamics in a homodimeric hemoglobin», Structural Dynamics. AIP Publishing, 3(1), S. 12003. doi: 10.1063/1.4940228.   edoc | Open Access
MacAleese, L., Hermelin, S., Hage, K. E., Chouzenoux, P., Kulesza, A., Antoine, R., Bonacina, L., Meuwly, M., Wolf, J.-P. und Dugourd, P. (2016) «Sequential Proton Coupled Electron Transfer (PCET): Dynamics Observed over 8 Orders of Magnitude in Time», Journal of the American Chemical Society. American Chemical Society, 138(13), S. 4401-4407. doi: 10.1021/jacs.5b12587.   edoc
El Hage, K., Bereau, T., Jakobsen, S. und Meuwly, M. (2016) «Impact of Quadrupolar Electrostatics on Atoms Adjacent to the Sigma-Hole in Condensed-Phase Simulations», Journal of Chemical Theory and Computation. American Chemical Society, 12(7), S. 3008-3019. doi: 10.1021/acs.jctc.6b00202.   edoc
Gupta, P. K. und Meuwly, M. (2016) «Structure and Dynamics of Water/Methanol Mixtures at Hydroxylated Silica Interfaces Relevant to Chromatography», ChemPhysChem. Wiley, 17(18), S. 2938-2944. doi: 10.1002/cphc.201600180.   edoc
Unke, O. T., Castro-Palacio, J. C., Bemish, R. J. und Meuwly, M. (2016) «Collision-induced rotational excitation in N2 (+)((2)Σg (+),v=0)-Ar: Comparison of computations and experiment», Journal of Chemical Physics. AIP Publishing, 144(22), S. 224307. doi: 10.1063/1.4951697.   edoc | Open Access
Soloviov, M., Das, A. K. und Meuwly, M. (2016) «Structural Interpretation of Metastable States in Myoglobin–NO», Angewandte Chemie International Edition. Wiley, 55(34), S. 10126-10130. doi: 10.1002/anie.201604552.   edoc | Open Access
Hédin, F., El Hage, K. und Meuwly, M. (2016) «A Toolkit to Fit Nonbonded Parameters from and for Condensed Phase Simulations», Journal of Chemical Information and Modeling. American Chemical Society , 56(8), S. 1479-1489. doi: 10.1021/acs.jcim.6b00280.   edoc
Das, A. K. und Meuwly, M. (2016) «Chapter Two – Empirical Force Fields for Mechanistic Studies of Chemical Reactions in Proteins», Methods in Enzymology. Elsevier, 577, S. 31-55. doi: 10.1016/bs.mie.2016.05.045.   edoc
Mackeprang, K., Xu, Z.-H., Maroun, Z., Meuwly, M. und Kjaergaard, H. G. (2016) «Spectroscopy and dynamics of double proton transfer in formic acid dimer», Physical Chemistry Chemical Physics. Royal Society of Chemistry, 18(35), S. 24654-24662. doi: 10.1039/c6cp03462d.   edoc | Open Access
Greif, M., Nagy, T., Soloviov, M., Castiglioni, L., Hengsberger, M., Meuwly, M. und Osterwalder, J. (2016) «Erratum: ‹Following the molecular motion of near-resonant excited CO on Pt(111): A simulated x-ray photoelectron diffraction study based on molecular dynamics calculations› [Struct. Dyn. 2, 035102 (2015)]», Structural Dynamics. AIP Publishing, 3(5), S. 59901. doi: 10.1063/1.4958888.   edoc | Open Access
Schmidt, H. C., Spulber, M., Neuburger, M., Palivan, C. G., Meuwly, M. und Wenger, O. S. (2016) «Charge Transfer Pathways in Three Isomers of Naphthalene-Bridged Organic Mixed Valence Compounds», Journal of Organic Chemistry. American Chemical Society, 81(2), S. 595-602. doi: 10.1021/acs.joc.5b02427.   edoc | Open Access
Greif, M., Nagy, T., Soloviov, M., Castiglioni, L., Hengsberger, M., Meuwly, M. und Osterwalder, J. (2015) «Following the molecular motion of near-resonant excited CO on Pt(111): A simulated x-ray photoelectron diffraction study based on molecular dynamics calculations», Structural Dynamics. AIP Publishing, 2(3), S. 35102. doi: 10.1063/1.4922611.   edoc | Open Access
Jin, H., Goyal, P., Das, A. K., Gaus, M., Meuwly, M. und Cui, Q. (2015) «Copper Oxidation/Reduction in Water and Protein: Studies with DFTB3/MM and VALBOND Molecular Dynamics Simulations», Journal of Physical Chemistry B. American Chemical Society, 120(8), S. 1894-1910. doi: 10.1021/acs.jpcb.5b09656.   edoc
Soloviov, M. und Meuwly, M. (2015) «Reproducing kernel potential energy surfaces in biomolecular simulations: Nitric oxide binding to myoglobin», Journal of Chemical Physics. AIP Publishing, 143(10), S. 105103. doi: 10.1063/1.4929527.   edoc | Open Access
Cazade, P.-A., Tran, H., Bereau, T., Das, A. K., Kläsi, F., Hamm, P. und Meuwly, M. (2015) «Solvation of fluoro-acetonitrile in water by 2D-IR spectroscopy: A combined experimental-computational study», Journal of Chemical Physics. AIP Publishing, 142(21), S. 212415. doi: 10.1063/1.4916630.   edoc | Open Access
Howard, D. L., Kjaergaard, H. G., Huang, J. und Meuwly, M. (2015) «Infrared and Near-Infrared Spectroscopy of Acetylacetone and Hexafluoroacetylacetone», The Journal of Physical Chemistry. A. American Chemical Society, 119(29), S. 7980-7990. doi: 10.1021/acs.jpca.5b01863.   edoc
Castro-Palacio, J. C., Bemish, R. J. und Meuwly, M. (2015) «Communication: Equilibrium rate coefficients from atomistic simulations: The O((3)P) + NO((2)Π) → O2(X(3)Σg(-)) + N((4)S) reaction at temperatures relevant to the hypersonic flight regime», Journal of Chemical Physics. AIP Publishing, 142(9), S. 91104. doi: 10.1063/1.4913975.   edoc | Open Access
Cazade, P.-A., Zheng, W., Prada-Gracia, D., Berezovska, G., Rao, F., Clementi, C. und Meuwly, M. (2015) «A comparative analysis of clustering algorithms: O2 migration in truncated hemoglobin I from transition networks», Journal of Chemical Physics. AIP Publishing, 142(2), S. 25103. doi: 10.1063/1.4904431.   edoc | Open Access
Jakobsen, S., Bereau, T. und Meuwly, M. (2015) «Multipolar force fields and their effects on solvent dynamics around simple solutes», Journal of Physical Chemistry B. American Chemical Society, 119(7), S. 3034-3045. doi: 10.1021/jp508052q.   edoc
Cazade, P.-A., Berezovska, G. und Meuwly, M. (2015) «Coupled protein-ligand dynamics in truncated hemoglobin N from atomistic simulations and transition networks», Biochimica et Biophysica Acta (BBA) - General Subjects. Elsevier B.V., 1850(5), S. 996-1005. doi: 10.1016/j.bbagen.2014.09.008.   edoc
Unke, O. T. und Meuwly, M. (2015) «Kernel density estimation-based solution of the nuclear Schrodinger equation», Chemical Physics Letters. Elsevier B.V., 639, S. 52-56. doi: 10.1016/j.cplett.2015.08.048.   edoc
Dudev, T., Devereux, M., Meuwly, M., Lim, C., Piquemal, J.-P. und Gresh, N. (2015) «Quantum-Chemistry Based Calibration of the Alkali Metal Cation Series (Li+-Cs+) for Large-Scale Polarizable Molecular Mechanics/Dynamics Simulations», Journal of Computational Chemistry. Wiley, 36(5), S. 285-302. doi: 10.1002/jcc.23801.   edoc
Reyes, J. Y., Nagy, T. und Meuwly, M. (2014) «Competitive reaction pathways in vibrationally induced photodissociation of H2SO4», Physical Chemistry, Chemical Physics. Royal Society of Chemistry, 16(34), S. 18533-18544. doi: 10.1039/c4cp01832j.   edoc
Castro-Palacio, J. C., Nagy, T., Bemish, R. J. und Meuwly, M. (2014) «Computational study of collisions between O(P-3) and NO((2)Pi) at temperatures relevant to the hypersonic flight regime», Journal of Chemical Physics. American Institute of Physics, 141(16), S. 164319. doi: 10.1063/1.4897263.   edoc | Open Access
Hedin, F., Plattner, N., Doll, J. D. und Meuwly, M. (2014) «Spatial Averaging: Sampling Enhancement for Exploring Configurational Space of Atomic Clusters and Biomolecules», Journal of Chemical Theory and Computation. American Chemical Society, 10(10), S. 4284-4296. doi: 10.1021/ct500529w.   edoc
Devereux, M., Gresh, N., Piquemal, J.-P. und Meuwly, M. (2014) «A Supervised Fitting Approach to Force Field Parametrization with Application to the SIBFA Polarizable Force Field», Journal of Computational Chemistry. Wiley, 35(21), S. 1577-1591. doi: 10.1002/jcc.23661.   edoc
Lee, M. W. und Meuwly, M. (2014) «Diffusion of atomic oxygen relevant to water formation in amorphous interstellar ices», Faraday Discussions. Royal Society of Chemistry, 168, S. 205-222. doi: 10.1039/c3fd00160a.   edoc
Devereux, M., Raghunathan, S., Fedorov, D. G. und Meuwly, M. (2014) «A Novel, Computationally Efficient Multipolar Model Employing Distributed Charges for Molecular Dynamics Simulations», Journal of Chemical Theory and Computation. American Chemical Society, 10(10), S. 4229-4241. doi: 10.1021/ct500511t.   edoc
Meuwly, M. (2014) «Quantitative Atomistic Simulations of Reactive and Non-Reactive Processes», Chimia. Schweizerische Chemische Gesellschaft, 68(9), S. 592-595. doi: 10.2533/chimia.2014.592.   edoc | Open Access
Cazade, P.-A., Bereau, T. und Meuwly, M. (2014) «Computational Two-Dimensional Infrared Spectroscopy without Maps : N-Methylacetamide in Water», Journal of Physical Chemistry B. American Chemical Society, 118(28), S. 8135-8147. doi: 10.1021/jp5011692.   edoc
Schmidt, T. B., Schwede, T. und Meuwly, M. (2014) «Computational Analysis of Methyltransfer Reactions in Dengue Virus Methyltransferase», Journal of Physical Chemistry B. American Chemical Society, 118(22), S. 5882-5890. doi: 10.1021/jp5028564.   edoc
Huang, J., Buchowiecki, M., Nagy, T., Vaníček, J. und Meuwly, M. (2014) «Kinetic isotope effect in malonaldehyde determined from path integral Monte Carlo simulations», Physical Chemistry, Chemical Physics. Royal Society of Chemistry, 16(1), S. 204-211. doi: 10.1039/c3cp53698j.   edoc
Hofmann, F. D., Devereux, M., Pfaltz, A. und Meuwly, M. (2014) «Toward force fields for atomistic simulations of iridium-containing complexes», Journal of Computational Chemistry. Wiley, 35(1), S. 18-29. doi: 10.1002/jcc.23460.   edoc
Nienhaus, K., Lutz, S., Meuwly, M. und Nienhaus, G. U. (2013) «Reaction-pathway selection in the structural dynamics of a heme protein», Chemistry. Wiley, 19(11), S. 3558-3562. doi: 10.1002/chem.201203558.   edoc
Mirolo, L., Schmidt, T., Eckhardt, S., Meuwly, M. und Fromm, K. M. (2013) «pH-dependent coordination of Ag(I) ions by histidine : experiment, theory, and a model for SilE», Chemistry. Wiley, 19(5), S. 1754-1761. doi: 10.1002/chem.201201844.   edoc
Kramer, C., Bereau, T., Spinn, A., Liedl, K. R., Gedeck, P. und Meuwly, M. (2013) «Deriving static atomic multipoles from the electrostatic potential», Journal of Chemical Information and Modeling. American Chemical Society, 53(12), S. 3410-3417. doi: 10.1021/ci400548w.   edoc
Szymczak, J. J., Hofmann, F. D. und Meuwly, M. (2013) «Structure and dynamics of solvent shells around photoexcited metal complexes», Physical Chemistry, Chemical Physics. Royal Society of Chemistry, 15(17), S. 6268-6277. doi: 10.1039/c3cp44465a.   edoc
Gellrich, U., Himmel, D., Meuwly, M. und Breit, B. (2013) «Realistic energy surfaces for real-world systems : an IMOMO CCSD(T):DFT scheme for rhodium-catalyzed hydroformylation with the 6-DPPon ligand», Chemistry. Wiley, 19(48), S. 16272-16281. doi: 10.1002/chem.201302132.   edoc
Lee, M. W. und Meuwly, M. (2013) «Hydration free energies of cyanide and hydroxide ions from molecular dynamics simulations with accurate force fields», Physical Chemistry, Chemical Physics. Royal Society of Chemistry, 15(46), S. 20303-20312. doi: 10.1039/c3cp52713a.   edoc
Schmid, M. H., Ward, T. R. und Meuwly, M. (2013) «Towards a Broadly Applicable Force Field for d6-piano Stool Complexes», Journal of Chemical Theory and Computation. American Chemical Society, 9(5), S. 2313-2323. doi: 10.1021/ct301080d.   edoc
Bereau, T., Kramer, C., Monnard, F. W., Nogueira, E. S., Ward, T. R. und Meuwly, M. (2013) «Scoring Multipole Electrostatics in Condensed-Phase Atomistic Simulations», Journal of Physical Chemistry B. American Chemical Society, 117(18), S. 5460-5471. doi: 10.1021/jp400593c.   edoc
Huang, J., Haeussinger, D., Gellrich, U., Seiche, W., Breit, B. und Meuwly, M. (2012) «Hydrogen-Bond and Solvent Dynamics in Transition Metal Complexes : a Combined Simulation and NMR-Investigation», Journal of Physical Chemistry B. American Chemical Society, 116(49), S. 14406-14415. doi: 10.1021/jp309412r.   edoc
Cazade, P.-A., Huang, J., Yosa, J., Szymczak, J. J. und Meuwly, M. (2012) «Atomistic simulations of reactive processes in the gas- and condensed-phase», International Reviews in Physical Chemistry. Taylor & Francis, 31(2), S. 235-264. doi: 10.1080/0144235X.2012.694694.   edoc
Meuwly, M. (2012) «Reaction Dynamics : Rules Change with Molecular Size», Chemphyschem. Wiley, 13(3), S. 684-685. doi: 10.1002/cphc.201100936.   edoc
Meuwly, M. und Cui, Q. (2012) «Protein functional dynamics : from femtoseconds to milliseconds Preface», Chemical Physics. Elsevier, 396, S. 1-2. doi: 10.1016/j.chemphys.2011.09.021.   edoc
Lee, M. W. und Meuwly, M. (2012) «Molecular Dynamics Simulation of Nitric Oxide in Myoglobin», The Journal of Physical Chemistry B. American Chemical Society, 116(14), S. 4154-4162. doi: 10.1021/jp212112f.   edoc
Gupta, P. K. und Meuwly, M. (2012) «Dynamics of Water/Methanol Mixtures at Functionalized Chromatographic Interfaces», Journal of Physical Chemistry B. American Chemical Society, 116(35), S. 10951-10959. doi: 10.1021/jp305351f.   edoc
Kramer, C., Gedeck, P. und Meuwly, M. (2012) «Atomic multipoles : electrostatic potential fit, local reference axis systems, and conformational dependence», Journal of Computational Chemistry. Wiley, 33(20), S. 1673-1688. doi: 10.1002/jcc.22996.   edoc
Tong, X., Nagy, T., Yosa Reyes, J., Germann, M., Meuwly, M. und Willitsch, S. (2012) «State-selected ion-molecule reactions with Coulomb-crystallized molecular ions in traps», Chemical Physics Letters. Elsevier, 547, S. 1-8. doi: 10.1016/j.cplett.2012.06.042.   edoc
Yang, Y., Liu, X., Meuwly, M., Xiao, L. und Jia, S. (2012) «Harmonic Bath Averaged Hamiltonian : an efficient Tool To Capture Quantum Effects of Large Systems», The journal of physical chemistry A. American Chemical Society, 116(46), S. 11134-11139. doi: 10.1021/jp304498h.   edoc
Lee, M. W., Plattner, N. und Meuwly, M. (2012) «Structure, spectroscopy and dynamics of layered H2O and CO2 ices», Physical Chemistry, Chemical Physics. Royal Society of Chemistry, 14(44), S. 15464-15474. doi: 10.1039/c2cp41904a.   edoc
Bozic-Weber, B., Chaurin, V., Constable, E. C., Housecroft, C. E., Meuwly, M., Neuburger, M., Rudd, J. A., Schoenhofer, E. und Siegfried, L. (2012) «Exploring copper(I)-based dye-sensitized solar cells : a complementary experimental and TD-DFT investigation», Dalton Transactions. Royal Society of Chemistry, 41(46), S. 14157-14169. doi: 10.1039/c2dt31159c.   edoc
Lutz, S. und Meuwly, M. (2012) «Photodissociation Dynamics of ClCN at Different Wavelengths», Chemphyschem. Wiley, 13(1), S. 305-313. doi: 10.1002/cphc.201100575.   edoc
Huang, J. und Meuwly, M. (2012) «Force Field Refinement from NMR Scalar Couplings», Chemical Physics. Elsevier, 396, S. 116-123. doi: 10.1016/j.chemphys.2011.09.016.   edoc
Schmid, M., Nogueira, E. S., Monnard, F. W., Ward, T. R. und Meuwly, M. (2012) «Arylsulfonamides as Inhibitors for Carbonic Anhydrase : Prediction & Validation», Chemical Science. Royal Society of Chemistry, 3(3), S. 690-700. doi: 10.1039/C1SC00628B.   edoc | Open Access
Plattner, N. und Meuwly, M. (2012) «Quantifying the importance of protein conformation on ligand migration in Myoglobin», Biophysical Journal. Biophysical Society, 102(2), S. 333-341. doi: 10.1016/j.bpj.2011.10.058.   edoc
Cazade, P.-A., Lutz, S., Lee, M. W. und Meuwly, M. (2011) «Computational Spectroscopy and Reaction Dynamics», Chimia. Schweizerische Chemische Gesellschaft, 65(5), S. 326-329. doi: 10.2533/chimia.2011.326.   edoc | Open Access
Gellrich, U., Huang, J., Seiche, W., Keller, M., Meuwly, M. und Breit, B. (2011) «Ligand Self-Assembling through Complementary Hydrogen-Bonding in the Coordination Sphere of a Transition Metal Center : the 6-Diphenylphosphanylpyridin-2(1H)-one System», Journal of the American Chemical Society. American Chemical Society, 133(4), S. 964-975. doi: 10.1021/ja108639e.   edoc
Lutz, S. und Meuwly, M. (2011) «Structural characterization of spectroscopic substates in carbonmonoxy neuroglobin», Faraday Discussions of the Royal Society of Chemistry. Royal Society of Chemistry, 150, S. 375-390. doi: 10.1039/c0fd00003e.   edoc
Zhang, L. und Meuwly, M. (2011) «Stability and Dynamics of Cyclic Diguanylic Acid in Solution», ChemPhysChem. Wiley, 12(2), S. 295-302. doi: 10.1002/cphc.201000692.   edoc
Lee, M. W. und Meuwly, M. (2011) «On the Role of Nonbonded Interactions in Vibrational Energy Relaxation of Cyanide in Water», The Journal of Physical Chemistry A. American Chemical Society, 115(20), S. 5053-5061. doi: 10.1021/jp202503m.   edoc
Yosa, J. und Meuwly, M. (2011) «Vibrationally Induced Dissociation of Sulfuric Acid (H₂SO₄)», The Journal of Physical Chemistry A. American Chemical Society, 115(50), S. 14350-14360.   edoc
Helbing, J., Devereux, M., Nienhaus, K., Nienhaus, G. U., Hamm, P. und Meuwly, M. (2011) «Temperature Dependence of the Heat Diffusivity of Proteins», The Journal of Physical Chemistry A. American Chemical Society, 116(11), S. 2620-2628. doi: 10.1021/jp2061877.   edoc
Lutz, S., Tubert-Brohman, I., Yang, Y. und Meuwly, M. (2011) «Water-assisted Proton Transfer in Ferredoxin I», Journal of Biological Chemistry. American Society for Biochemistry and Molecular Biology , 286(27), S. 23679-23687. doi: 10.1074/jbc.M111.230003.   edoc | Open Access
Yang, Y. und Meuwly, M. (2010) «A generalized reactive force field for nonlinear hydrogen bonds : hydrogen dynamics and transfer in malonaldehyde», Journal of Chemical Physics. American Institute of Physics, 133 (6), S. 64503.   edoc | Open Access
Plattner, N., Doll, J. D. und Meuwly, M. (2010) «Spatial averaging for small molecule diffusion in condensed phase environments», Journal of Chemical Physics. American Institute of Physics, 133(4), S. 44506. doi: 10.1063/1.3458639.   edoc | Open Access
Meuwly, M. und Doll, J. D. (2010) «Finite-temperature quantum simulations of mixed rare gas clusters», Journal of Chemical Physics. American Institute of Physics, 132(23), S. 234315. doi: 10.1063/1.3431080.   edoc | Open Access
Nienhaus, K., Lutz, S., Meuwly, M. und Nienhaus, G. U. (2010) «Structural Identification of Spectroscopic Substates in Neuroglobin», ChemPhysChem. Wiley, 11(1), S. 119-129. doi: 10.1002/cphc.200900637.   edoc
Plattner, N., Lee, M. W. und Meuwly, M. (2010) «Structural and Spectroscopic Characterization of Mixed Planetary Ices», Faraday Discussions of the Royal Society of Chemistry. Royal Society of Chemistry, 147, S. 217-230. doi: 10.1039/C003487H.   edoc
Devereux, M. und Meuwly, M. (2010) «Force Field Optimization using Dynamics and Ensemble Averaged Data : Vibrational Spectra and Relaxation in Bound MbCO», Journal of Chemical Information and Modeling. American Chemical Society, 50(3), S. 349-357. doi: 10.1021/ci9004404.   edoc
Huang, J. und Meuwly, M. (2010) «Explicit Hydrogen-Bond Potentials and Their Application to NMR Scalar Couplings in Proteins», Journal of Chemical Theory and Computation. American Chemical Society, 6(2), S. 467-476. doi: 10.1021/ct9005695.   edoc
Mishra, S. und Meuwly, M. (2010) «Atomistic Simulation of NO Dioxygenation in Group~I Truncated Hemoglobin», Journal of the American Chemical Society. American Chemical Society, 132(9), S. 2968-2982.   edoc
Buffa, G., Tarrini, O., Dore, L. und Meuwly, M. (2010) «Experimental and Theoretical Study of the Broadening and Shifting of N2H+ Rotational Lines by Helium», ChemPhysChem. Wiley, 11(14), S. 3141-3145. doi: 10.1002/cphc.201000230.   edoc
Mishra, S. und Meuwly, M. (2010) «Quantitative Analysis of Ligand Migration from Transition Networks», Biophysical Journal. Biophysical Society, 99(12), S. 3969-3978. doi: 10.1016/j.bpj.2010.09.068.   edoc
Orzechowski, M. und Meuwly, M. (2010) «Dynamics of Water Filaments in Disordered Environments», The Journal of Physical Chemistry B. American Chemical Society, 114(38), S. 12203-12212. doi: 10.1021/jp1051003.   edoc
Devereux, M. und Meuwly, M. (2009) «Structural assignment of spectra by characterization of conformational substates in bound MbCO», Biophysical Journal. Biophysical Society, 96(11), S. 4363-4375. doi: 10.1016/j.bpj.2009.01.064.   edoc
Plattner, N. und Meuwly, M. (2009) «Higher order multipole moments for molecular dynamics simulations», Journal of Molecular Modeling. Springer, 15(6), S. 687-694. doi: 10.1007/s00894-009-0465-6.   edoc
Mishra, S. und Meuwly, M. (2009) «Nitric oxide dynamics in truncated hemoglobin : docking sites, migration pathways, and vibrational spectroscopy from molecular dynamics simulations», Biophysical Journal. Biophysical Society, 96(6), S. 2105-2118. doi: 10.1016/j.bpj.2008.11.066.   edoc
Lutz, S., Nienhaus, K., Nienhaus, G. U. und Meuwly, M. (2009) «Ligand migration between internal docking sites in photodissociated carbonmonoxy neuroglobin», Journal of Physical Chemistry B. American Chemical Society, 113(46), S. 15334-15343. doi: 10.1021/jp905673p.   edoc
Devereux, M. und Meuwly, M. (2009) «Anharmonic coupling in molecular dynamics simulations of ligand vibrational relaxation in bound carbonmonoxy myoglobin», Journal of Physical Chemistry B. American Chemical Society, 113(39), S. 13061-13070. doi: 10.1021/jp903741v.   edoc
Buffa, G., Dore, L., Tinti, F. und Meuwly, M. (2008) «Experimental and theoretical study of helium broadening and shift of HCO+ rotational lines», ChemPhysChem. Wiley, 9(15), S. 2237-2244. doi: 10.1002/cphc.200800369.   edoc
Lammers, S., Lutz, S. und Meuwly, M. (2008) «Reactive force fields for proton transfer dynamics», Journal of computational chemistry. Wiley, 29(7), S. 1048-1063. doi: 10.1002/jcc.20864.   edoc
Danielsson, J. und Meuwly, M. (2007) «Molecular dynamics simulations of CN- dynamics and spectroscopy in myoglobin», ChemPhysChem. Wiley, 8(7), S. 1077-1084. doi: 10.1002/cphc.200700042.   edoc
Schmid, F. F.-F. und Meuwly, M. (2007) «All-atom simulations of structures and energetics of c-di-GMP-bound and free PleD», Journal of Molecular Biology. Elsevier, 374(5), S. 1270-1285. doi: 10.1016/j.jmb.2007.09.068.   edoc
Markert, C., Neuburger, M., Kulicke, K., Meuwly, M. und Pfaltz, A. (2007) «Palladium-catalyzed allylic substitution: reversible formation of allyl-bridged dinuclear palladium(I) complexes», Angewandte Chemie International Edition. Wiley, 46(31), S. 5892-5895. doi: 10.1002/anie.200701248.   edoc
Koch, M., Schmid, F. F.-F., Zoete, V. und Meuwly, M. (2006) «Insulin : a model system for nanomedicine?», Nanomedicine. Elsevier, 1(3), S. 373-378. doi: 10.2217/17435889.1.3.373.   edoc
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