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Gerhard Stock - Publications

Affiliations: 
Albert-Ludwigs-Universität Freiburg, Freiburg im Breisgau, Baden-Württemberg, Germany 
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136 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Post M, Wolf S, Stock G. Investigation of Rare Protein Conformational Transitions via Dissipation-Corrected Targeted Molecular Dynamics. Journal of Chemical Theory and Computation. PMID 38011829 DOI: 10.1021/acs.jctc.3c01017  0.305
2020 Lickert B, Stock G. Modeling non-Markovian data using Markov state and Langevin models. The Journal of Chemical Physics. 153: 244112. PMID 33380115 DOI: 10.1063/5.0031979  0.307
2020 Baiz CR, Błasiak B, Bredenbeck J, Cho M, Choi JH, Corcelli SA, Dijkstra AG, Feng CJ, Garrett-Roe S, Ge NH, Hanson-Heine MWD, Hirst JD, Jansen TLC, Kwac K, Kubarych KJ, ... ... Stock G, et al. Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction. Chemical Reviews. PMID 32598850 DOI: 10.1021/Acs.Chemrev.9B00813  0.45
2020 Wolf S, Lickert B, Bray S, Stock G. Multisecond ligand dissociation dynamics from atomistic simulations. Nature Communications. 11: 2918. PMID 32522984 DOI: 10.1038/S41467-020-16655-1  0.412
2020 Valiño Borau L, Gulzar A, Stock G. Master equation model to predict energy transport pathways in proteins. The Journal of Chemical Physics. 152: 045103. PMID 32007039 DOI: 10.1063/1.5140070  0.37
2019 Gulzar A, Valino-Borau L, Buchenberg S, Wolf S, Stock G. Energy transport pathways in proteins: A nonequilibrium molecular dynamics simulation study. Journal of Chemical Theory and Computation. PMID 31433644 DOI: 10.1021/Acs.Jctc.9B00598  0.396
2019 Jankovic B, Gulzar A, Zanobini C, Bozovic O, Wolf S, Stock G, Hamm P. Photocontrolling Protein-Peptide Interactions: From Minimal Perturbation to Complete Unbinding. Journal of the American Chemical Society. PMID 31184111 DOI: 10.1021/Jacs.9B03222  0.306
2019 Post M, Wolf S, Stock G. Principal component analysis of nonequilibrium molecular dynamics simulations. The Journal of Chemical Physics. 150: 204110. PMID 31153204 DOI: 10.1063/1.5089636  0.387
2019 Nagel D, Weber A, Lickert B, Stock G. Dynamical coring of Markov state models. The Journal of Chemical Physics. 150: 094111. PMID 30849879 DOI: 10.1063/1.5081767  0.456
2018 Wolf S, Stock G. Targeted Molecular Dynamics Calculations of Free Energy Profiles Using a Nonequilibrium Friction Correction. Journal of Chemical Theory and Computation. PMID 30407810 DOI: 10.1021/Acs.Jctc.8B00835  0.347
2018 Zanobini C, Bozovic O, Jankovic B, Koziol KL, Johnson PJM, Hamm P, Gulzar A, Wolf S, Stock G. Azidohomoalanine: A Minimally-Invasive, Versatile and Sensitive Infrared Label in Proteins to Study Ligand Binding. The Journal of Physical Chemistry. B. PMID 30343570 DOI: 10.1021/Acs.Jpcb.8B08368  0.332
2018 Sittel F, Stock G. Perspective: Identification of collective variables and metastable states of protein dynamics. The Journal of Chemical Physics. 149: 150901. PMID 30342445 DOI: 10.1063/1.5049637  0.442
2018 Stock G, Hamm P. A non-equilibrium approach to allosteric communication. Philosophical Transactions of the Royal Society of London. Series B, Biological Sciences. 373. PMID 29735740 DOI: 10.1098/Rstb.2017.0187  0.411
2018 Brandt S, Sittel F, Ernst M, Stock G. Machine Learning of Biomolecular Reaction Coordinates. The Journal of Physical Chemistry Letters. 2144-2150. PMID 29630378 DOI: 10.1021/Acs.Jpclett.8B00759  0.363
2018 Perez A, Sittel F, Stock G, Dill KA. MELD-path efficiently computes conformational transitions, including multiple and diverse paths. Journal of Chemical Theory and Computation. PMID 29547695 DOI: 10.1021/Acs.Jctc.7B01294  0.389
2018 Biswas M, Lickert B, Stock G. Metadynamics Enhanced Markov Modeling of Protein Dynamics. The Journal of Physical Chemistry. B. PMID 29338243 DOI: 10.1021/Acs.Jpcb.7B11800  0.449
2017 Sittel F, Filk T, Stock G. Principal component analysis on a torus: Theory and application to protein dynamics. The Journal of Chemical Physics. 147: 244101. PMID 29289136 DOI: 10.1063/1.4998259  0.391
2017 Stucki-Buchli B, Johnson PJM, Bozovic O, Zanobini C, Koziol KL, Hamm P, Gulzar A, Wolf S, Buchenberg S, Stock G. 2D-IR Spectroscopy of an AHA Labelled Photoswitchable PDZ2 Domain. The Journal of Physical Chemistry. A. PMID 29160709 DOI: 10.1021/Acs.Jpca.7B09675  0.363
2017 Ernst M, Wolf S, Stock G. Identification and validation of reaction coordinates describing protein functional motion: Hierarchical dynamics of T4 Lysozyme. Journal of Chemical Theory and Computation. PMID 28915045 DOI: 10.1021/Acs.Jctc.7B00571  0.429
2017 Buchenberg S, Sittel F, Stock G. Time-resolved observation of protein allosteric communication. Proceedings of the National Academy of Sciences of the United States of America. PMID 28760989 DOI: 10.1073/Pnas.1707694114  0.409
2017 Fujisaki H, Yagi K, Kikuchi H, Takami T, Stock G. Vibrational energy transport in acetylbenzonitrile described by an ab initio-based quantum tier model Chemical Physics. 482: 86-92. DOI: 10.1016/J.Chemphys.2016.09.010  0.421
2016 Schaudinnus N, Lickert B, Biswas M, Stock G. Global Langevin model of multidimensional biomolecular dynamics. The Journal of Chemical Physics. 145: 184114. PMID 27846702 DOI: 10.1063/1.4967341  0.44
2016 Lu C, Stock G, Knecht V. Mechanisms for allosteric activation of protease DegS by ligand binding and oligomerization as revealed from molecular dynamics simulations: Allostery in protease DegS studied by MD. Proteins. PMID 27556733 DOI: 10.1002/Prot.25154  0.334
2016 Sittel F, Stock G. Robust Density-Based Clustering To Identify Metastable Conformational States of Proteins. Journal of Chemical Theory and Computation. 12: 2426-35. PMID 27058020 DOI: 10.1021/Acs.Jctc.5B01233  0.396
2016 Buchenberg S, Leitner DM, Stock G. Scaling Rules for Vibrational Energy Transport in Globular Proteins. The Journal of Physical Chemistry Letters. 7: 25-30. PMID 26650387 DOI: 10.1021/Acs.Jpclett.5B02514  0.377
2015 Ernst M, Sittel F, Stock G. Contact- and distance-based principal component analysis of protein dynamics. The Journal of Chemical Physics. 143: 244114. PMID 26723658 DOI: 10.1063/1.4938249  0.396
2015 Buchenberg S, Schaudinnus N, Stock G. Hierarchical Biomolecular Dynamics: Picosecond Hydrogen Bonding Regulates Microsecond Conformational Transitions. Journal of Chemical Theory and Computation. 11: 1330-6. PMID 26579778 DOI: 10.1021/Ct501156T  0.434
2015 Dixit PD, Jain A, Stock G, Dill KA. Inferring Transition Rates of Networks from Populations in Continuous-Time Markov Processes. Journal of Chemical Theory and Computation. 11: 5464-72. PMID 26574334 DOI: 10.1021/Acs.Jctc.5B00537  0.306
2015 Hamm P, Stock G. Nonadiabatic vibrational dynamics in the HCO2 (-)⋅H2O complex. The Journal of Chemical Physics. 143: 134308. PMID 26450315 DOI: 10.1063/1.4932189  0.449
2015 Schaudinnus N, Bastian B, Hegger R, Stock G. Multidimensional Langevin Modeling of Nonoverdamped Dynamics. Physical Review Letters. 115: 050602. PMID 26274405 DOI: 10.1103/Physrevlett.115.050602  0.434
2015 Leitner DM, Buchenberg S, Brettel P, Stock G. Vibrational energy flow in the villin headpiece subdomain: master equation simulations. The Journal of Chemical Physics. 142: 075101. PMID 25702030 DOI: 10.1063/1.4907881  0.345
2014 Rzepiela AJ, Schaudinnus N, Buchenberg S, Hegger R, Stock G. Communication: Microsecond peptide dynamics from nanosecond trajectories: a Langevin approach. The Journal of Chemical Physics. 141: 241102. PMID 25554123 DOI: 10.1063/1.4904894  0.459
2014 Buchenberg S, Knecht V, Walser R, Hamm P, Stock G. Long-range conformational transition of a photoswitchable allosteric protein: molecular dynamics simulation study. The Journal of Physical Chemistry. B. 118: 13468-76. PMID 25365469 DOI: 10.1021/Jp506873Y  0.392
2014 Sittel F, Jain A, Stock G. Principal component analysis of molecular dynamics: on the use of Cartesian vs. internal coordinates. The Journal of Chemical Physics. 141: 014111. PMID 25005281 DOI: 10.1063/1.4885338  0.428
2014 Jain A, Stock G. Hierarchical folding free energy landscape of HP35 revealed by most probable path clustering. The Journal of Physical Chemistry. B. 118: 7750-60. PMID 24405039 DOI: 10.1021/Jp410398A  0.412
2013 Schaudinnus N, Rzepiela AJ, Hegger R, Stock G. Data driven Langevin modeling of biomolecular dynamics. The Journal of Chemical Physics. 138: 204106. PMID 23742453 DOI: 10.1063/1.4804302  0.392
2013 Hamm P, Stock G. Vibrational conical intersections in the water dimer Molecular Physics. 111: 2046-2056. DOI: 10.1080/00268976.2013.782438  0.338
2012 Riccardi L, Nguyen PH, Stock G. Construction of the Free Energy Landscape of Peptide Aggregation from Molecular Dynamics Simulations. Journal of Chemical Theory and Computation. 8: 1471-9. PMID 26596757 DOI: 10.1021/Ct200911W  0.411
2012 Jain A, Stock G. Identifying Metastable States of Folding Proteins. Journal of Chemical Theory and Computation. 8: 3810-9. PMID 26593022 DOI: 10.1021/Ct300077Q  0.395
2012 Hamm P, Stock G. Vibrational conical intersections as a mechanism of ultrafast vibrational relaxation. Physical Review Letters. 109: 173201. PMID 23215183 DOI: 10.1103/Physrevlett.109.173201  0.414
2011 Kobus M, Lieder M, Nguyen PH, Stock G. Simulation of transient infrared spectra of a photoswitchable peptide. The Journal of Chemical Physics. 135: 225102. PMID 22168727 DOI: 10.1063/1.3664747  0.463
2011 Nguyen PH, Staudt H, Wachtveitl J, Stock G. Real time observation of ultrafast peptide conformational dynamics: molecular dynamics simulation vs infrared experiment. The Journal of Physical Chemistry. B. 115: 13084-92. PMID 21939247 DOI: 10.1021/Jp207945P  0.433
2011 Kobus M, Nguyen PH, Stock G. Coherent vibrational energy transfer along a peptide helix. The Journal of Chemical Physics. 134: 124518. PMID 21456687 DOI: 10.1063/1.3574395  0.415
2010 Kobus M, Nguyen PH, Stock G. Infrared signatures of the peptide dynamical transition: a molecular dynamics simulation study. The Journal of Chemical Physics. 133: 034512. PMID 20649342 DOI: 10.1063/1.3462961  0.399
2010 Otten M, Stock G. Maximum caliber inference of nonequilibrium processes. The Journal of Chemical Physics. 133: 034119. PMID 20649320 DOI: 10.1063/1.3455333  0.439
2010 Nguyen PH, Park SM, Stock G. Nonequilibrium molecular dynamics simulation of the energy transport through a peptide helix. The Journal of Chemical Physics. 132: 025102. PMID 20095715 DOI: 10.1063/1.3284742  0.445
2010 Jain A, Hegger R, Stock G. Hidden Complexity of Protein Free-Energy Landscapes Revealed by Principal Component Analysis by Parts Journal of Physical Chemistry Letters. 1: 2769-2773. DOI: 10.1021/Jz101069E  0.367
2009 Riccardi L, Nguyen PH, Stock G. Free-energy landscape of RNA hairpins constructed via dihedral angle principal component analysis. The Journal of Physical Chemistry. B. 113: 16660-8. PMID 20028141 DOI: 10.1021/Jp9076036  0.344
2009 Park SM, Nguyen PH, Stock G. Molecular dynamics simulation of cooling: heat transfer from a photoexcited peptide to the solvent. The Journal of Chemical Physics. 131: 184503. PMID 19916608 DOI: 10.1063/1.3259971  0.4
2009 Nguyen PH, Derreumaux P, Stock G. Energy flow and long-range correlations in guanine-binding riboswitch: a nonequilibrium molecular dynamics study. The Journal of Physical Chemistry. B. 113: 9340-7. PMID 19569726 DOI: 10.1021/Jp902013S  0.372
2009 Villa A, Wöhnert J, Stock G. Molecular dynamics simulation study of the binding of purine bases to the aptamer domain of the guanine sensing riboswitch. Nucleic Acids Research. 37: 4774-86. PMID 19515936 DOI: 10.1093/Nar/Gkp486  0.31
2009 Stock G. Classical simulation of quantum energy flow in biomolecules. Physical Review Letters. 102: 118301. PMID 19392249 DOI: 10.1103/Physrevlett.102.118301  0.422
2009 Marko A, Margraf D, Yu H, Mu Y, Stock G, Prisner T. Molecular orientation studies by pulsed electron-electron double resonance experiments. Journal of Chemical Physics. 130: 64102-64102. PMID 19222262 DOI: 10.1063/1.3073040  0.347
2009 Hegger R, Stock G. Multidimensional Langevin modeling of biomolecular dynamics. The Journal of Chemical Physics. 130: 034106. PMID 19173509 DOI: 10.1063/1.3058436  0.44
2009 Fujisaki H, Yagi K, Straub JE, Stock G. Quantum and classical vibrational relaxation dynamics of n-methylacetamide on ab initio potential energy surfaces International Journal of Quantum Chemistry. 109: 2047-2057. DOI: 10.1002/Qua.22061  0.468
2008 Fujisaki H, Stock G. Dynamic treatment of vibrational energy relaxation in a heterogeneous and fluctuating environment. The Journal of Chemical Physics. 129: 134110. PMID 19045081 DOI: 10.1063/1.2985606  0.452
2008 Backus EH, Nguyen PH, Botan V, Moretto A, Crisma M, Toniolo C, Zerbe O, Stock G, Hamm P. Structural flexibility of a helical peptide regulates vibrational energy transport properties. The Journal of Physical Chemistry. B. 112: 15487-92. PMID 18991434 DOI: 10.1021/Jp806403P  0.399
2008 Altis A, Otten M, Nguyen PH, Hegger R, Stock G. Construction of the free energy landscape of biomolecules via dihedral angle principal component analysis. The Journal of Chemical Physics. 128: 245102. PMID 18601386 DOI: 10.1063/1.2945165  0.382
2008 Backus EH, Nguyen PH, Botan V, Pfister R, Moretto A, Crisma M, Toniolo C, Stock G, Hamm P. Energy transport in peptide helices: a comparison between high- and low-energy excitations. The Journal of Physical Chemistry. B. 112: 9091-9. PMID 18597522 DOI: 10.1021/Jp711046E  0.375
2008 Stock G, Ghosh K, Dill KA. Maximum Caliber: a variational approach applied to two-state dynamics. The Journal of Chemical Physics. 128: 194102. PMID 18500851 DOI: 10.1063/1.2918345  0.42
2008 Ferner J, Villa A, Duchardt E, Widjajakusuma E, Wöhnert J, Stock G, Schwalbe H. NMR and MD studies of the temperature-dependent dynamics of RNA YNMG-tetraloops. Nucleic Acids Research. 36: 1928-40. PMID 18272534 DOI: 10.1093/Nar/Gkm1183  0.345
2008 Villa A, Widjajakusuma E, Stock G. Molecular dynamics simulation of the structure, dynamics, and thermostability of the RNA hairpins uCACGg and cUUCGg. The Journal of Physical Chemistry. B. 112: 134-42. PMID 18069816 DOI: 10.1021/Jp0764337  0.386
2008 Thoss M, Stock G, Martinez TJ. Ultrafast photoinduced processes in polyatomic molecules: Electronic structure, dynamics and spectroscopy (in honour of Wolfgang Domcke) Chemical Physics. 347: 1-2. DOI: 10.1016/J.Chemphys.2008.03.029  0.573
2008 Kobus M, Gorbunov RD, Nguyen PH, Stock G. Nonadiabatic vibrational dynamics and spectroscopy of peptides: A quantum-classical description Chemical Physics. 347: 208-217. DOI: 10.1016/J.Chemphys.2007.10.034  0.5
2007 Botan V, Backus EH, Pfister R, Moretto A, Crisma M, Toniolo C, Nguyen PH, Stock G, Hamm P. Energy transport in peptide helices. Proceedings of the National Academy of Sciences of the United States of America. 104: 12749-54. PMID 17646650 DOI: 10.1073/Pnas.0701762104  0.426
2007 Altis A, Nguyen PH, Hegger R, Stock G. Dihedral angle principal component analysis of molecular dynamics simulations. The Journal of Chemical Physics. 126: 244111. PMID 17614541 DOI: 10.1063/1.2746330  0.37
2007 Piton N, Mu Y, Stock G, Prisner TF, Schiemann O, Engels JW. Base-specific spin-labeling of RNA for structure determination. Nucleic Acids Research. 35: 3128-43. PMID 17452362 DOI: 10.1093/Nar/Gkm169  0.302
2007 Hegger R, Altis A, Nguyen PH, Stock G. How complex is the dynamics of Peptide folding? Physical Review Letters. 98: 028102. PMID 17358652 DOI: 10.1103/Physrevlett.98.028102  0.399
2007 Gorbunov RD, Nguyen PH, Kobus M, Stock G. Quantum-classical description of the amide I vibrational spectrum of trialanine. The Journal of Chemical Physics. 126: 054509. PMID 17302487 DOI: 10.1063/1.2431803  0.47
2007 Graf J, Nguyen PH, Stock G, Schwalbe H. Structure and dynamics of the homologous series of alanine peptides: a joint molecular dynamics/NMR study. Journal of the American Chemical Society. 129: 1179-89. PMID 17263399 DOI: 10.1021/Ja0660406  0.364
2007 Nguyen PH, Li MS, Stock G, Straub JE, Thirumalai D. Monomer adds to preformed structured oligomers of Abeta-peptides by a two-stage dock-lock mechanism. Proceedings of the National Academy of Sciences of the United States of America. 104: 111-6. PMID 17190811 DOI: 10.1073/Pnas.0607440104  0.316
2007 Gorbunov RD, Stock G. Ab initio based building block model of amide I vibrations in peptides Chemical Physics Letters. 437: 272-276. DOI: 10.1016/J.Cplett.2007.02.033  0.378
2006 Uspenskiy I, Strodel B, Stock G. Classical Calculation of Transient Absorption Spectra Monitoring Ultrafast Electron Transfer Processes. Journal of Chemical Theory and Computation. 2: 1605-17. PMID 26627031 DOI: 10.1021/Ct6002127  0.68
2006 Villa A, Stock G. What NMR Relaxation Can Tell Us about the Internal Motion of an RNA Hairpin:  A Molecular Dynamics Simulation Study. Journal of Chemical Theory and Computation. 2: 1228-36. PMID 26626832 DOI: 10.1021/Ct600160Z  0.407
2006 Nguyen PH, Gorbunov RD, Stock G. Photoinduced conformational dynamics of a photoswitchable peptide: a nonequilibrium molecular dynamics simulation study. Biophysical Journal. 91: 1224-34. PMID 16731560 DOI: 10.1529/Biophysj.106.084996  0.461
2006 Nguyen PH, Mittag E, Torda AE, Stock G. Improved Wang-Landau sampling through the use of smoothed potential-energy surfaces. The Journal of Chemical Physics. 124: 154107. PMID 16674218 DOI: 10.1063/1.2191060  0.358
2006 Strodel B, Stock G. Quantum modeling of transient infrared spectra reflecting photoinduced electron-transfer dynamics. The Journal of Chemical Physics. 124: 114105. PMID 16555872 DOI: 10.1063/1.2166629  0.694
2006 Mu Y, Stock G. Conformational dynamics of RNA-peptide binding: A molecular dynamics simulation study Biophysical Journal. 90: 391-399. PMID 16239331 DOI: 10.1529/Biophysj.105.069559  0.345
2006 Uspenskiy I, Strodel B, Stock G. Classical description of the dynamics and time-resolved spectroscopy of nonadiabatic cis-trans photoisomerization Chemical Physics. 329: 109-117. DOI: 10.1016/J.Chemphys.2006.07.047  0.471
2006 Nguyen PH, Stock G. Nonequilibrium molecular dynamics simulation of a photoswitchable peptide Chemical Physics. 323: 36-44. DOI: 10.1016/J.Chemphys.2005.08.047  0.483
2006 Stock G, Wachtveitl J, Grubmueller H. Nonequilibrium dynamics in biomolecules. Chemical Physics. 323: 1-1. DOI: 10.1016/J.Chemphys.2005.08.043  0.388
2005 Nguyen PH, Stock G, Mittag E, Hu CK, Li MS. Free energy landscape and folding mechanism of a beta-hairpin in explicit water: a replica exchange molecular dynamics study. Proteins. 61: 795-808. PMID 16240446 DOI: 10.1002/Prot.20696  0.373
2005 Koplin J, Mu Y, Richter C, Schwalbe H, Stock G. Structure and dynamics of an RNA tetraloop: a joint molecular dynamics and NMR study. Structure (London, England : 1993). 13: 1255-67. PMID 16154083 DOI: 10.1016/J.Str.2005.05.015  0.42
2005 Nguyen PH, Mu Y, Stock G. Structure and energy landscape of a photoswitchable peptide: a replica exchange molecular dynamics study. Proteins. 60: 485-94. PMID 15977160 DOI: 10.1002/Prot.20485  0.388
2005 Gorbunov RD, Kosov DS, Stock G. Ab initio-based exciton model of amide I vibrations in peptides: definition, conformational dependence, and transferability. The Journal of Chemical Physics. 122: 224904. PMID 15974713 DOI: 10.1063/1.1898215  0.402
2005 Mu Y, Nguyen PH, Stock G. Energy landscape of a small peptide revealed by dihedral angle principal component analysis. Proteins. 58: 45-52. PMID 15521057 DOI: 10.1002/Prot.20310  0.385
2005 Balzer B, Stock G. Modeling of decoherence and dissipation in nonadiabatic photoreactions by an effective-scaling nonsecular Redfield algorithm Chemical Physics. 310: 33-41. DOI: 10.1016/J.Chemphys.2004.10.001  0.375
2004 Balzer B, Stock G. Transient spectral features of a cis-trans photoreaction in the condensed phase: A model study Journal of Physical Chemistry A. 108: 6464-6473. DOI: 10.1021/Jp048965I  0.322
2003 Nguyen PH, Stock G. Nonequilibrium molecular-dynamics study of the vibrational energy relaxation of peptides in water Journal of Chemical Physics. 119: 11350-11358. DOI: 10.1063/1.1622654  0.484
2003 Balzer B, Dilthey S, Stock G, Thoss M. Quasiclassical and semiclassical wave-packet dynamics in periodic potentials The Journal of Chemical Physics. 119: 5795-5804. DOI: 10.1063/1.1601219  0.639
2003 Balzer B, Dilthey S, Hahn S, Thoss M, Stock G. Quasiperiodic orbit analysis of nonadiabaticcis–transphotoisomerization dynamics The Journal of Chemical Physics. 119: 4204-4215. DOI: 10.1063/1.1592794  0.665
2003 Mu Y, Kosov DS, Stock G. Conformational dynamics of trialanine in water. 2. Comparison of AMBER, CHARMM, GROMOS, and OPLS force fields to NMR and infrared experiments Journal of Physical Chemistry B. 107: 5064-5073. DOI: 10.1021/Jp022445A  0.446
2003 Balzer B, Hahn S, Stock G. Mechanism of a photochemical funnel: a dissipative wave-packet dynamics study Chemical Physics Letters. 379: 351-358. DOI: 10.1016/J.Cplett.2003.08.052  0.385
2002 Dilthey S, Stock G. Classical description of the level density and the relaxation behavior of multidimensional molecular curve‐crossing systems Israel Journal of Chemistry. 42: 203-212. DOI: 10.1560/Yrdy-98L9-Ryah-2E1B  0.456
2002 Woutersen S, Pfister R, Hamm P, Mu Y, Kosov DS, Stock G. Peptide conformational heterogeneity revealed from nonlinear vibrational spectroscopy and molecular-dynamics simulations Journal of Chemical Physics. 117: 6833-6840. DOI: 10.1063/1.1506151  0.451
2002 Hahn S, Stock G. Ultrafast cis-trans photoswitching: A model study Journal of Chemical Physics. 116: 1085-1091. DOI: 10.1063/1.1428344  0.463
2002 Dilthey S, Mehlig B, Stock G. Classical phase-space analysis of vibronically coupled systems Journal of Chemical Physics. 116: 69-78. DOI: 10.1063/1.1421067  0.428
2002 Dilthey S, Stock G. Periodic-Orbit Analysis of Coherent Electron-Transfer Femtosecond Experiments Journal of Physical Chemistry A. 106: 8483-8487. DOI: 10.1021/Jp0209188  0.391
2002 Mu Y, Stock G. Conformational dynamics of trialanine in water: A molecular dynamics study Journal of Physical Chemistry B. 106: 5294-5301. DOI: 10.1021/Jp013977E  0.468
2001 Dilthey S, Stock G. Periodic orbit description of nonadiabatic quantum dynamics. Physical Review Letters. 87: 140404-140404. PMID 11580635 DOI: 10.1103/Physrevlett.87.140404  0.393
2001 Woutersen S, Mu Y, Stock G, Hamm P. Subpicosecond conformational dynamics of small peptides probed by two-dimensional vibrational spectroscopy. Proceedings of the National Academy of Sciences of the United States of America. 98: 11254-8. PMID 11553784 DOI: 10.1073/Pnas.201169498  0.448
2001 Santer M, Manthe U, Stock G. Quantum-classical Liouville description of multidimensional nonadiabatic molecular dynamics The Journal of Chemical Physics. 114: 2001-2012. DOI: 10.1063/1.1336576  0.386
2001 Hahn S, Stock G. Theoretical Description of Secondary Emission Reflecting Ultrafast Nonadiabatic Isomerization Journal of Physical Chemistry A. 105: 2626-2633. DOI: 10.1021/Jp003788G  0.396
2001 Woutersen S, Mu Y, Stock G, Hamm P. Hydrogen-bond lifetime measured by time-resolved 2D-IR spectroscopy: N-methylacetamide in methanol Chemical Physics. 266: 137-147. DOI: 10.1016/S0301-0104(01)00224-5  0.317
2000 Thoss M, Miller WH, Stock G. Semiclassical description of nonadiabatic quantum dynamics: Application to the S1-S2 conical intersection in pyrazine Journal of Chemical Physics. 112: 10282-10292. DOI: 10.1063/1.481668  0.634
2000 Dilthey S, Hahn S, Stock G. Approximate calculation of femtosecond pump-probe spectra monitoring nonadiabatic excited-state dynamics Journal of Chemical Physics. 112: 4910-4922. DOI: 10.1063/1.481045  0.489
2000 Hahn S, Stock G. Quantum-Mechanical Modeling of the Femtosecond Isomerization in Rhodopsin Journal of Physical Chemistry B. 104: 1146-1149. DOI: 10.1021/Jp992939G  0.396
2000 Hahn S, Stock G. Femtosecond secondary emission arising from the nonadiabatic photoisomerization in rhodopsin Chemical Physics. 259: 297-312. DOI: 10.1016/S0301-0104(00)00201-9  0.431
1999 Thoss M, Stock G. Mapping approach to the semiclassical description of nonadiabatic quantum dynamics Physical Review A. 59: 64-79. DOI: 10.1103/Physreva.59.64  0.605
1999 Müller U, Stock G. Flow of zero-point energy and exploration of phase space in classical simulations of quantum relaxation dynamics. II. Application to nonadiabatic processes Journal of Chemical Physics. 111: 77-88. DOI: 10.1063/1.479255  0.389
1999 Stock G, Müller U. Flow of zero-point energy and exploration of phase space in classical simulations of quantum relaxation dynamics Journal of Chemical Physics. 111: 65-76. DOI: 10.1063/1.479254  0.428
1998 Müller U, Stock G. Consistent treatment of quantum-mechanical and classical degrees of freedom in mixed quantum-classical simulations Journal of Chemical Physics. 108: 7516-7526. DOI: 10.1063/1.476184  0.431
1998 Wolfseder B, Seidner L, Domcke W, Stock G, Seel M, Engleitner S, Zinth W. Vibrational coherence in ultrafast electron-transfer dynamics of oxazine 1 in N,N-dimethylaniline: simulation of a femtosecond pump-probe experiment Chemical Physics. 233: 323-334. DOI: 10.1016/S0301-0104(98)00132-3  0.607
1998 Hahn S, Stock G. Efficient calculation of time- and frequency-resolved spectra: a mixed non-perturbative/perturbative approach Chemical Physics Letters. 296: 137-145. DOI: 10.1016/S0009-2614(98)01003-3  0.382
1998 Engleitner S, Seel M, Wolfseder B, Stock G, Domcke W, Zinth W. Modulation of ultrafast electron transfer dynamics by wavepacket motion in oxazine Springer Series in Chemical Physics. 63: 630-632.  0.452
1997 Stock G, Thoss M. Semiclassical Description of Nonadiabatic Quantum Dynamics Physical Review Letters. 78: 578-581. DOI: 10.1103/Physrevlett.78.578  0.644
1997 Müller U, Stock G. Surface-hopping modeling of photoinduced relaxation dynamics on coupled potential-energy surfaces Journal of Chemical Physics. 107: 6230-6245. DOI: 10.1063/1.474288  0.453
1997 Wolfseder B, Seidner L, Stock G, Domcke W. Femtosecond pump-probe spectroscopy of electron-transfer systems: a nonperturbative approach Chemical Physics. 217: 275-287. DOI: 10.1016/S0301-0104(97)00046-3  0.574
1995 Stock G, Woywod C, Domcke W, Swinney T, Hudson BS. Resonance Raman spectroscopy of theS1andS2states of pyrazine: Experiment and first principles calculation of spectra The Journal of Chemical Physics. 103: 6851-6860. DOI: 10.1063/1.470689  0.571
1995 Stock G. A semiclassical self-consistent-field approach to dissipative dynamics. II. Internal conversion processes Journal of Chemical Physics. 103: 2888-2902. DOI: 10.1063/1.470502  0.402
1995 Stock G. Classical Description Of Nonadiabatic Photoisomerization Processes And Their Real-Time Detection Via Femtosecond Spectroscopy Journal of Chemical Physics. 103: 10015-10029. DOI: 10.1063/1.469905  0.498
1995 Stock G. A semiclassical self‐consistent‐field approach to dissipative dynamics: The spin–boson problem Journal of Chemical Physics. 103: 1561-1573. DOI: 10.1063/1.469778  0.411
1995 Seidner L, Stock G, Domcke W. Nonperturbative approach to femtosecond spectroscopy: General theory and application to multidimensional nonadiabatic photoisomerization processes The Journal of Chemical Physics. 103: 3998-4011. DOI: 10.1063/1.469586  0.524
1994 Stock G. Photoinduced large amplitude motion as mechanism for pure electronic dephasing and its manifestation in continuous‐wave and time‐resolved spectroscopy Journal of Chemical Physics. 101: 246-254. DOI: 10.1063/1.468176  0.412
1994 Seidner L, Stock G, Domcke W. Model studies on femtosecond spectroscopy of multidimensional photoisomerization and internal-conversion dynamics. A nonperturbative approach Chemical Physics Letters. 228: 665-671. DOI: 10.1016/0009-2614(94)00989-9  0.586
1994 Stock G. Classical description of ultrafast internal conversion processes. The benzene cation Chemical Physics Letters. 224: 131-138. DOI: 10.1016/0009-2614(94)00515-X  0.435
1993 Stock G, Miller WH. Classical formulation of the spectroscopy of nonadiabatic excited‐state dynamics The Journal of Chemical Physics. 99: 1545-1555. DOI: 10.1063/1.465323  0.42
1993 Stock G, Domcke W. Femtosecond spectroscopy of ultrafast nonadiabatic excited-state dynamics on the basis of ab initio potential-energy surfaces: the S2 state of pyrazine The Journal of Physical Chemistry. 97: 12466-12472. DOI: 10.1021/J100150A004  0.629
1992 Stock G, Domcke W. Detection of ultrafast molecular-excited-state dynamics with time- and frequency-resolved pump-probe spectroscopy. Physical Review. A. 45: 3032-3040. PMID 9907338 DOI: 10.1103/Physreva.45.3032  0.565
1992 Seidner L, Stock G, Sobolewski AL, Domcke W. Abinitiocharacterization of theS1–S2conical intersection in pyrazine and calculation of spectra The Journal of Chemical Physics. 96: 5298-5309. DOI: 10.1063/1.462715  0.541
1992 Stock G, Woywod C, Domcke W. Model study on the real-time detection of ultrafast nonadiabatic dynamics associated with the Wulf-Chappuis bands of ozone Chemical Physics Letters. 200: 163-172. DOI: 10.1016/0009-2614(92)87063-U  0.556
1992 Stock G, Miller WH. A classical model for time- and frequency-resolved spectroscopy of nonadiabatic excited-state dynamics Chemical Physics Letters. 197: 396-404. DOI: 10.1016/0009-2614(92)85791-8  0.484
1990 Stock G, Domcke W. Theory of femtosecond pump–probe spectroscopy of ultrafast internal conversion processes in polyatomic molecules Journal of the Optical Society of America B. 7: 1970. DOI: 10.1364/Josab.7.001970  0.577
1990 Stock G, Domcke W. Theory of resonance Raman scattering and fluorescence from strongly vibronically coupled excited states of polyatomic molecules The Journal of Chemical Physics. 93: 5496-5509. DOI: 10.1063/1.459619  0.571
1989 Stock G, Schneider R, Domcke W. Theoretical studies on the femtosecond real‐time measurement of ultrafast electronic decay in polyatomic molecules The Journal of Chemical Physics. 90: 7184-7194. DOI: 10.1063/1.456248  0.569
1988 Stock G, Domcke W. Model studies on the time-resolved measurement of excited-state vibrational dynamics and vibronic coupling Chemical Physics. 124: 227-238. DOI: 10.1016/0301-0104(88)87152-0  0.538
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