G. Stock

发表

Structure and dynamics of the homologous series of alanine peptides: a joint molecular dynamics/NMR study.

H. Schwalbe, J. Graf, P. Nguyen, 2007, Journal of the American Chemical Society.

A non-equilibrium approach to allosteric communication

Gerhard Stock, Peter Hamm, P. Hamm, 2018, Philosophical Transactions of the Royal Society B: Biological Sciences.

Time-resolved observation of protein allosteric communication

G. Stock, Sebastian Buchenberg, F. Sittel, 2017, Proceedings of the National Academy of Sciences.

Long-Range Conformational Response of a PDZ Domain to Ligand Binding and Release: A Molecular Dynamics Study.

G. Stock, Cheng Lu, V. Knecht, 2016, Journal of chemical theory and computation.

Mechanisms for allosteric activation of protease DegS by ligand binding and oligomerization as revealed from molecular dynamics simulations

G. Stock, Cheng Lu, V. Knecht, 2016, Proteins.

Long-range conformational transition of a photoswitchable allosteric protein: molecular dynamics simulation study.

P. Hamm, G. Stock, Sebastian Buchenberg, 2014, The journal of physical chemistry. B.

Vibrational energy flow in the villin headpiece subdomain: master equation simulations.

D. Leitner, G. Stock, Sebastian Buchenberg, 2015, The Journal of chemical physics.

Identification and Validation of Reaction Coordinates Describing Protein Functional Motion: Hierarchical Dynamics of T4 Lysozyme.

Gerhard Stock, Steffen Wolf, Matthias Ernst, 2017, Journal of chemical theory and computation.

Identi fi cation and Validation of Reaction Coordinates Describing Protein Functional Motion : Hierarchical Dynamics of T 4 Lysozyme

Ste, M. Ernst, G. Stock, 2017 .

Free energy landscape and folding mechanism of a β‐hairpin in explicit water: A replica exchange molecular dynamics study

Chin-Kun Hu, P. Nguyen, G. Stock, 2005, Proteins.

Semiclassical Description of Nonadiabatic Quantum Dynamics

M. Thoss, G. Stock, 1997 .

Dihedral angle principal component analysis of molecular dynamics simulations.

R. Hegger, P. Nguyen, G. Stock, 2007, The Journal of chemical physics.

Energy landscape of a small peptide revealed by dihedral angle principal component analysis

P. Nguyen, G. Stock, Y. Mu, 2004, Proteins.

Conformational Dynamics of Trialanine in Water: A Molecular Dynamics Study

G. Stock, Yuguang Mu and, 2002 .

Principal component analysis of molecular dynamics: on the use of Cartesian vs. internal coordinates.

G. Stock, F. Sittel, Abhinav Jain, 2014, The Journal of chemical physics.

Inferring Transition Rates of Networks from Populations in Continuous-Time Markov Processes.

K. Dill, P. Dixit, G. Stock, 2015, Journal of chemical theory and computation.

Metadynamics Enhanced Markov Modeling of Protein Dynamics.

Gerhard Stock, Mithun Biswas, Mithun Biswas, 2018, The journal of physical chemistry. B.

Machine Learning of Biomolecular Reaction Coordinates.

Florian Sittel, Gerhard Stock, Matthias Ernst, 2018, The journal of physical chemistry letters.

Construction of the free energy landscape of biomolecules via dihedral angle principal component analysis.

Gerhard Stock, Rainer Hegger, R. Hegger, 2008, The Journal of chemical physics.

Comparison of speech production in upright and supine position.

M Stone, C. Kambhamettu, M. Stone, 2007, The Journal of the Acoustical Society of America.

Subpicosecond conformational dynamics of small peptides probed by two-dimensional vibrational spectroscopy

P. Hamm, G. Stock, S. Woutersen, 2001, Proceedings of the National Academy of Sciences of the United States of America.

Peptide conformational heterogeneity revealed from nonlinear vibrational spectroscopy and molecular dynamics simulations

Gerhard Stock, Yuguang Mu, Peter Hamm, 2002 .

Hierarchical Biomolecular Dynamics: Picosecond Hydrogen Bonding Regulates Microsecond Conformational Transitions.

Gerhard Stock, Norbert Schaudinnus, G. Stock, 2015, Journal of chemical theory and computation.

Quantum-classical Liouville description of multidimensional nonadiabatic molecular dynamics

Gerhard Stock, Uwe Manthe, Mark Santer, 2001 .

Free-energy landscape of RNA hairpins constructed via dihedral angle principal component analysis.

Gerhard Stock, Laura Riccardi, P. Nguyen, 2009, The journal of physical chemistry. B.

Targeted Molecular Dynamics Calculations of Free Energy Profiles Using a Nonequilibrium Friction Correction.

G. Stock, Steffen Wolf, 2018, Journal of chemical theory and computation.

Molecular dynamics simulation study of the binding of purine bases to the aptamer domain of the guanine sensing riboswitch

Gerhard Stock, Alessandra Villa, Jens Wöhnert, 2009, Nucleic acids research.

Multidimensional Langevin modeling of biomolecular dynamics.

Gerhard Stock, Rainer Hegger, R. Hegger, 2009, The Journal of chemical physics.

How complex is the dynamics of Peptide folding?

Gerhard Stock, Rainer Hegger, R. Hegger, 2007, Physical review letters.

Structure and energy landscape of a photoswitchable peptide: A replica exchange molecular dynamics study

P. Nguyen, G. Stock, Y. Mu, 2005, Proteins.

Inferring transition rates on networks with incomplete knowledge

K. Dill, P. Dixit, G. Stock, 2015, 1504.01277.

Principal component analysis of nonequilibrium molecular dynamics simulations.

Gerhard Stock, Steffen Wolf, Matthias Post, 2019, The Journal of chemical physics.

Global Langevin model of multidimensional biomolecular dynamics.

Mithun Biswas, G. Stock, Benjamin Lickert, 2016, The Journal of chemical physics.

Vibrational energy transport in acetylbenzonitrile described by an ab initio-based quantum tier model

H. Kikuchi, G. Stock, H. Fujisaki, 2017 .

A Numerical Procedure to Evaluate Memory Effects in Non‐Equilibrium Coarse‐Grained Models

G. Stock, Steffen Wolf, T. Schilling, 2020, Advanced Theory and Simulations.

Allosteric action of nucleotides on Hsp90 across several time- and length scales

G. Stock, Steffen Wolf, T. Hugel, 2020 .

Hierarchical coupling between ATP hydrolysis and Hsp90’s client binding site

G. Stock, Steffen Wolf, T. Hugel, 2020, bioRxiv.

Real-time observation of ligand-induced allosteric transitions in a PDZ domain

P. Hamm, G. Stock, Steffen Wolf, 2020, Proceedings of the National Academy of Sciences.

2 DIR Spectroscopy of an AHA Labeled Photoswitchable PDZ 2 Domain Published as part of The Journal of Physical Chemistry virtual special issue “ Time-Resolved Vibrational Spectroscopy ”

P. Hamm, G. Stock, Sebastian Buchenberg, 2017 .

CLASSICAL DESCRIPTION OF NONADIABATIC PHOTOISOMERIZATION PROCESSES AND THEIR REAL-TIME DETECTION VIA FEMTOSECOND SPECTROSCOPY

G. Stock, 1995 .

Cooperative protein allosteric transition mediated by a fluctuating transmission network.

G. Stock, Steffen Wolf, Benjamin Lickert, 2022, Journal of molecular biology.

Exploring the Energy Landscape of Small Peptides and Proteins by Molecular Dynamics Simulations

P. Nguyen, G. Stock, Abhinav Jain, 2012 .

A classical model for time- and frequency-resolved spectroscopy of nonadiabatic excited-state dynamics

W. Miller, G. Stock, 1992 .

Quasiperiodic orbit analysis of nonadiabatic cis–trans photoisomerization dynamics

M. Thoss, G. Stock, S. Hahn, 2003 .

Surface-hopping modeling of photoinduced relaxation dynamics on coupled potential-energy surfaces

Gerhard Stock, G. Stock, U. Müller, 1997 .

Cooperative protein allosteric transition mediated by a fluctuating transmission network

G. Stock, Steffen Wolf, Benjamin Lickert, 2021, bioRxiv.

Energy transport in peptide helices around the glass transition

C. Toniolo, M. Crisma, A. Moretto, 2009 .

Energy Transport and its Function in Heptahelical Transmembrane Proteins

G. Stock, Steffen Wolf, Nadja Helmer, 2022, 2208.10187.

Nonequilibrium Modeling of the Elementary Step in PDZ3 Allosteric Communication.

G. Stock, Steffen Wolf, Adnan Gulzar, 2022, The journal of physical chemistry letters.

Communication: Microsecond peptide dynamics from nanosecond trajectories: a Langevin approach.

R. Hegger, G. Stock, Sebastian Buchenberg, 2014, The Journal of chemical physics.

Energy Transport and Its Function in Heptahelical Transmembrane Proteins.

G. Stock, Steffen Wolf, Nadja Helmer, 2022, The journal of physical chemistry. B.

Ab initio-based exciton model of amide I vibrations in peptides: definition, conformational dependence, and transferability.

G. Stock, D. Kosov, Roman D. Gorbunov, 2005, The Journal of chemical physics.

Femtosecond Spectroscopy of Non-Adiabatic Photoisomerization Processes: Semiclassical Modeling

G. Stock, W. Domcke, L. Seidner, 1994 .

Photocontrolling Protein-Peptide Interactions: From Minimal Perturbation to Complete Unbinding.

P. Hamm, G. Stock, Steffen Wolf, 2019, Journal of the American Chemical Society.

Model studies on the time-resolved measurement of excited-state vibrational dynamics and vibronic coupling

G. Stock, W. Domcke, 1988 .

Determination by photon correlation spectroscopy of particle size distributions in lipid vesicle suspensions.

G. Stock, J. Goll, 1977, Biophysical journal.

Efficient calculation of time- and frequency-resolved spectra: a mixed non-perturbative/perturbative approach

G. Stock, S. Hahn, 1998 .

Efficient calculation of femtosecond time-resolved photoelectron spectra: method and application to the ionization of pyrazine

G. Stock, S. Hahn, 2001 .

Application of splines to the calculation of bacterial swimming speed distributions.

G. Stock, 1976, Biophysical journal.

Path separation of dissipation-corrected targeted molecular dynamics simulations of protein-ligand unbinding

G. Stock, Steffen Wolf, Matthias Post, 2022, 2212.07154.

Master equation model to predict energy transport pathways in proteins.

G. Stock, Adnan Gulzar, Luis Valiño Borau, 2020, The Journal of chemical physics.

Correlation-Based Feature Selection to Identify Functional Dynamics in Proteins.

G. Stock, D. Nagel, Georg Diez, 2022, Journal of chemical theory and computation.

Robust Density-Based Clustering To Identify Metastable Conformational States of Proteins.

Florian Sittel, Gerhard Stock, G. Stock, 2016, Journal of chemical theory and computation.

Hierarchical folding free energy landscape of HP35 revealed by most probable path clustering.

Gerhard Stock, Abhinav Jain, G. Stock, 2014, The journal of physical chemistry. B.

Identifying Metastable States of Folding Proteins.

Gerhard Stock, Abhinav Jain, G. Stock, 2012, Journal of chemical theory and computation.

Construction of the Free Energy Landscape of Peptide Aggregation from Molecular Dynamics Simulations.

Gerhard Stock, Laura Riccardi, P. Nguyen, 2012, Journal of chemical theory and computation.

Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction.

Carlos R. Baiz, J. Straub, J. Hirst, 2020, Chemical reviews.

A semiclassical self-consistent-field approach to dissipative dynamics. II. Internal conversion processes

G. Stock, 1995 .

Nonadiabatic vibrational dynamics and spectroscopy of peptides: A quantum-classical description

P. Nguyen, G. Stock, RD Roman Gorbunov, 2008 .

Ab initio based building block model of amide I vibrations in peptides

G. Stock, RD Roman Gorbunov, 2007 .

Quantum-classical description of the amide I vibrational spectrum of trialanine.

P. Nguyen, G. Stock, M. Kobus, 2007, The Journal of chemical physics.

Energy transport in peptide helices

Claudio Toniolo, Gerhard Stock, Peter Hamm, 2007, Proceedings of the National Academy of Sciences.

Theory of Ultrafast Nonadiabatic Excited‐State Processes and their Spectroscopic Detection in Real Time

Gerhard Stock, Wolfgang Domcke, G. Stock, 2007 .

Theoretical Description of Secondary Emission Reflecting Ultrafast Nonadiabatic Isomerization

G. Stock, S. Hahn, 2001 .

Base-specific spin-labeling of RNA for structure determination

G. Stock, Y. Mu, J. Engels, 2007, Nucleic acids research.

Quantum and classical vibrational relaxation dynamics of N‐methylacetamide on ab initio potential energy surfaces

J. Straub, K. Hirao, G. Stock, 2008, 0807.1368.

Classical Calculation of Transient Absorption Spectra Monitoring Ultrafast Electron Transfer Processes.

G. Stock, B. Strodel, I. Uspenskiy, 2006, Journal of chemical theory and computation.

Simulation of transient infrared spectra of a photoswitchable peptide.

P. Nguyen, G. Stock, M. Kobus, 2011, The Journal of chemical physics.

Coherent vibrational energy transfer along a peptide helix.

P. Nguyen, G. Stock, M. Kobus, 2011, The Journal of chemical physics.

Infrared signatures of the peptide dynamical transition: a molecular dynamics simulation study.

P. Nguyen, G. Stock, M. Kobus, 2010, The Journal of chemical physics.

Through bonds or contacts? Mapping protein vibrational energy transfer using non-canonical amino acids

Erhan Deniz, G. Stock, Steffen Wolf, 2021, Nature Communications.

Photoinduced conformational dynamics of a photoswitchable peptide: a nonequilibrium molecular dynamics simulation study.

P. Nguyen, G. Stock, Roman D. Gorbunov, 2006, Biophysical journal.

Real time observation of ultrafast peptide conformational dynamics: molecular dynamics simulation vs infrared experiment.

P. Nguyen, G. Stock, J. Wachtveitl, 2011, The journal of physical chemistry. B.

Femtosecond secondary emission arising from the nonadiabatic photoisomerization in rhodopsin

G. Stock, S. Hahn, 2000 .

Approximate calculation of femtosecond pump-probe spectra monitoring nonadiabatic excited-state dynamics

G. Stock, S. Hahn, S. Dilthey, 2000 .

Resonance Raman spectroscopy of the S1 and S2 states of pyrazine: Experiment and first principles calculation of spectra

G. Stock, W. Domcke, B. Hudson, 1995 .

Photoinduced large amplitude motion as mechanism for pure electronic dephasing and its manifestation in continuous‐wave and time‐resolved spectroscopy

G. Stock, 1994 .

Model study on the real-time detection of ultrafast nonadiabatic dynamics associated with the Wulf-Chappuis bands of ozone

G. Stock, W. Domcke, C. Woywod, 1992 .

Theoretical studies on the femtosecond real‐time measurement of ultrafast electronic decay in polyatomic molecules

G. Stock, W. Domcke, R. Schneider, 1989 .

Quantum modeling of transient infrared spectra reflecting photoinduced electron-transfer dynamics.

G. Stock, B. Strodel, 2006, The Journal of chemical physics.

Femtosecond pump-probe spectroscopy of electron-transfer systems: a nonperturbative approach

G. Stock, W. Domcke, L. Seidner, 1997 .

Ultrafast cis-trans photoswitching: A model study

G. Stock, S. Hahn, 2002 .

Quantum-Mechanical Modeling of the Femtosecond Isomerization in Rhodopsin

Gerhard Stock, G. Stock, Susanne Hahn, 2000 .

Conical Intersections and Femtosecond Dynamics

G. Stock, W. Domcke, L. Seidner, 1998 .

NONPERTURBATIVE APPROACH TO FEMTOSECOND SPECTROSCOPY : GENERAL THEORY AND APPLICATION TO MULTIDIMENSIONAL NONADIABATIC PHOTOISOMERIZATION PROCESSES

G. Stock, W. Domcke, L. Seidner, 1995 .

Transient spectral features of a cis-trans photoreaction in the condensed phase: A model study

G. Stock, B. Balzer, 2004 .

Modeling of decoherence and dissipation in nonadiabatic photoreactions by an effective-scaling nonsecular Redfield algorithm

G. Stock, B. Balzer, 2005 .

Theory of femtosecond pump–probe spectroscopy of ultrafast internal conversion processes in polyatomic molecules

G. Stock, W. Domcke, 1990 .

Classical formulation of the spectroscopy of nonadiabatic excited-state dynamics

W. Miller, G. Stock, 1993 .

Theory of resonance Raman scattering and fluorescence from strongly vibronically coupled excited states of polyatomic molecules

G. Stock, W. Domcke, 1990 .

Semiclassical description of nonadiabatic quantum dynamics: Application to the S1–S2 conical intersection in pyrazine

M. Thoss, W. Miller, G. Stock, 2000 .

Ab initio characterization of the S1-S2 conical intersection in pyrazine and calculation of spectra

G. Stock, W. Domcke, A. Sobolewski, 1992 .

Molecular orientation studies by pulsed electron-electron double resonance experiments.

G. Stock, Y. Mu, H. Yu, 2009, The Journal of chemical physics.

Energy transport in peptide helices: a comparison between high- and low-energy excitations.

C. Toniolo, M. Crisma, A. Moretto, 2008, The journal of physical chemistry. B.

A PELDOR-based nanometer distance ruler for oligonucleotides.

G. Stock, Y. Mu, J. Engels, 2004, Journal of the American Chemical Society.

Nonadiabatic vibrational dynamics in the HCO2 (-)⋅H2O complex.

P. Hamm, G. Stock, 2015, The Journal of chemical physics.

Model studies on femtosecond spectroscopy of multidimensional photoisomerization and internal-conversion dynamics. A nonperturbative approach

G. Stock, W. Domcke, L. Seidner, 1994 .

Allostery in Its Many Disguises: From Theory to Applications.

Ruth Nussinov, Ivet Bahar, Dima Kozakov, 2019, Structure.

Principal component analysis on a torus: Theory and application to protein dynamics.

Florian Sittel, Gerhard Stock, Thomas Filk, 2017, The Journal of chemical physics.

What NMR Relaxation Can Tell Us about the Internal Motion of an RNA Hairpin: A Molecular Dynamics Simulation Study.

G. Stock, A. Villa, 2006, Journal of chemical theory and computation.

Structure and dynamics of an RNA tetraloop: a joint molecular dynamics and NMR study.

Harald Schwalbe, Gerhard Stock, Yuguang Mu, 2005, Structure.

NMR and MD studies of the temperature-dependent dynamics of RNA YNMG-tetraloops

H. Schwalbe, J. Wöhnert, G. Stock, 2008, Nucleic acids research.

Dynamic treatment of vibrational energy relaxation in a heterogeneous and fluctuating environment.

G. Stock, H. Fujisaki, 2008, The Journal of chemical physics.

Classical description of ultrafast internal conversion processes. The benzene cation

G. Stock, 1994 .

Modeling non-Markovian data using Markov state and Langevin models.

G. Stock, Benjamin Lickert, 2020, The Journal of chemical physics.

Structural flexibility of a helical peptide regulates vibrational energy transport properties.

C. Toniolo, M. Crisma, A. Moretto, 2008, The journal of physical chemistry. B.

Flow of zero-point energy and exploration of phase space in classical simulations of quantum relaxation dynamics. II. Application to nonadiabatic processes

G. Stock, U. Müller, 1999 .

Azidohomoalanine: A Minimally Invasive, Versatile, and Sensitive Infrared Label in Proteins To Study Ligand Binding.

P. Hamm, G. Stock, Steffen Wolf, 2018, The journal of physical chemistry. B.

Improved Wang-Landau sampling through the use of smoothed potential-energy surfaces.

Gerhard Stock, P. Nguyen, G. Stock, 2006, The Journal of chemical physics.

Multisecond ligand dissociation dynamics from atomistic simulations

Simon A. Bray, G. Stock, Steffen Wolf, 2020, Nature Communications.

Nonequilibrium molecular dynamics simulation of a photoswitchable peptide

P. Nguyen, G. Stock, 2006 .

Classical simulation of quantum energy flow in biomolecules.

G. Stock, 2009, Physical review letters.

Hydrogen-bond lifetime measured by time-resolved 2D-IR spectroscopy: N-methylacetamide in methanol

Gerhard Stock, Yuguang Mu, Peter Hamm, 2001 .

Monomer adds to preformed structured oligomers of Aβ-peptides by a two-stage dock–lock mechanism

D Thirumalai, Gerhard Stock, Mai Suan Li, 2007, Proceedings of the National Academy of Sciences.

Vibrational conical intersections in the water dimer

P. Hamm, G. Stock, 2013 .

Quasiclassical and semiclassical wave-packet dynamics in periodic potentials

M. Thoss, G. Stock, B. Balzer, 2003 .

Classical description of the dynamics and time-resolved spectroscopy of nonadiabatic cis-trans photoisomerization

G. Stock, B. Strodel, I. Uspenskiy, 2006 .

Perspective: Identification of collective variables and metastable states of protein dynamics.

Florian Sittel, Gerhard Stock, G. Stock, 2018, The Journal of chemical physics.

Contact- and distance-based principal component analysis of protein dynamics.

Florian Sittel, Gerhard Stock, Matthias Ernst, 2015, The Journal of chemical physics.

Selecting Features for Markov Modeling: A Case Study on HP35.

G. Stock, D. Nagel, S. Sartore, 2023, Journal of chemical theory and computation.

MSMPathfinder: Identification of Pathways in Markov State Models.

Daniel Nagel, Anna Weber, Gerhard Stock, 2020, Journal of chemical theory and computation.

Dynamical coring of Markov state models.

Gerhard Stock, Anna Weber, G. Stock, 2019, The Journal of chemical physics.

Hidden Complexity of Protein Free-Energy Landscapes Revealed by Principal Component Analysis by Parts

Gerhard Stock, Abhinav Jain, Rainer Hegger, 2010 .

Towards a Benchmark for Markov State Models: The Folding of HP35

G. Stock, S. Sartore, Daniel Nagel, 2023, 2306.04331.

Hierarchical dynamics in allostery following ATP hydrolysis monitored by single molecule FRET measurements and MD simulations

G. Stock, Steffen Wolf, T. Hugel, 2021, Chemical science.

Nonequilibrium molecular dynamics simulation of the energy transport through a peptide helix.

P. Nguyen, G. Stock, Sang-min Park, 2010, The Journal of chemical physics.

Vibrational coherence in ultrafast electron-transfer dynamics of oxazine 1 in N,N-dimethylaniline: simulation of a femtosecond pump-probe experiment

W. Zinth, G. Stock, W. Domcke, 1998 .

Consistent treatment of quantum-mechanical and classical degrees of freedom in mixed quantum-classical simulations

G. Stock, U. Müller, 1998 .

A semiclassical self‐consistent‐field approach to dissipative dynamics: The spin–boson problem

Gerhard Stock, G. Stock, 1995 .

Molecular dynamics simulation of cooling: heat transfer from a photoexcited peptide to the solvent.

P. Nguyen, G. Stock, Sang-min Park, 2009, The Journal of chemical physics.

Maximum Caliber: a variational approach applied to two-state dynamics.

Kingshuk Ghosh, Gerhard Stock, Ken A Dill, 2008, The Journal of chemical physics.

Conformational dynamics of trialanine in water. 2. Comparison of AMBER, CHARMM, GROMOS, and OPLS force fields to NMR and infrared experiments

Gerhard Stock, Yuguang Mu, G. Stock, 2003 .

Data driven Langevin modeling of biomolecular dynamics.

Gerhard Stock, Norbert Schaudinnus, Rainer Hegger, 2013, The Journal of chemical physics.

Energy transport pathways in proteins: A nonequilibrium molecular dynamics simulation study.

G. Stock, Sebastian Buchenberg, Steffen Wolf, 2019, Journal of chemical theory and computation.

Scaling Rules for Vibrational Energy Transport in Globular Proteins.

D. Leitner, G. Stock, Sebastian Buchenberg, 2016, The journal of physical chemistry letters.

Nonequilibrium molecular-dynamics study of the vibrational energy relaxation of peptides in water

P. Nguyen, G. Stock, 2003 .

Flow of zero-point energy and exploration of phase space in classical simulations of quantum relaxation dynamics

G. Stock, U. Müller, 1999 .

Classical description of the level density and the relaxation behavior of multidimensional molecular curve‐crossing systems

G. Stock, S. Dilthey, 2002 .

2D-IR Spectroscopy of an AHA Labeled Photoswitchable PDZ2 Domain.

P. Hamm, G. Stock, Sebastian Buchenberg, 2017, The journal of physical chemistry. A.

Data-Driven Langevin Modeling of Nonequilibrium Processes.

G. Stock, Steffen Wolf, Benjamin Lickert, 2021, The journal of physical chemistry. B.

Molecular Origin of Driving-Dependent Friction in Fluids.

G. Stock, Steffen Wolf, Matthias Post, 2022, Journal of chemical theory and computation.

Reply to the comment on “Energy landscape of a small peptide revealed by dihedral angle principal component analysis”

Phuong Nguyen, Gerhard Stock, Yuguang Mu, 2006 .

Maximum caliber inference of nonequilibrium processes.

Gerhard Stock, G. Stock, M. Otten, 2010, The Journal of chemical physics.

Mechanism of a photochemical funnel: a dissipative wave-packet dynamics study

Gerhard Stock, G. Stock, Susanne Hahn, 2003 .

Toward a Benchmark for Markov State Models: The Folding of HP35.

G. Stock, S. Sartore, Daniel Nagel, 2023, The journal of physical chemistry letters.

msmhelper: A Python package for Markov state modeling of protein dynamics

G. Stock, Daniel Nagel, Gerhard Stock, 2023, J. Open Source Softw..

Influence of Nitroxide Spin Labels on RNA Structure: A Molecular Dynamics Simulation Study.

G. Stock, L. Nordenskiöld, Hang Yu, 2008, Journal of chemical theory and computation.

Molecular dynamics simulation of the structure, dynamics, and thermostability of the RNA hairpins uCACGg and cUUCGg.

G. Stock, A. Villa, E. Widjajakusuma, 2008, The journal of physical chemistry. B.

Energy flow and long-range correlations in guanine-binding riboswitch: a nonequilibrium molecular dynamics study.

P. Derreumaux, P. Nguyen, G. Stock, 2009, The journal of physical chemistry. B.

The measurement of bacterial translation by photon correlation spectroscopy.

G. Stock, 1978, Biophysical journal.

dock-lock mechanism Monomer adds to preformed structured oligomers of Abeta-peptides by a two-stage

J. Straub, D. Thirumalai, P. Nguyen, 2007 .

MELD-Path Efficiently Computes Conformational Transitions, Including Multiple and Diverse Paths.

Florian Sittel, Gerhard Stock, Alberto Perez, 2018, Journal of chemical theory and computation.

Combining Single-Molecule Fluorescence and MD-Simulations to Delineate the Kinetics and Regulation of Proteins

G. Stock, Steffen Wolf, T. Hugel, 2021 .

Principal component analysis of molecular dynamics: on the use of Cartesian vs. internal coordinates.

G. Stock, F. Sittel, Abhinav Jain, 2014, The Journal of chemical physics.

Supporting Information to Machine Learning of Biomolecular Reaction Coordinates

M. Ernst, G. Stock, F. Sittel, 2018 .

Path separation of dissipation-corrected targeted molecular dynamics simulations of protein-ligand unbinding.

G. Stock, Steffen Wolf, Matthias Post, 2022, The Journal of chemical physics.

2D-IR Spectroscopy of an AHA Labeled Photoswitchable PDZ2 Domain.

P. Hamm, G. Stock, Sebastian Buchenberg, 2017, The journal of physical chemistry. A.

Mechanisms for allosteric activation of protease DegS by ligand binding and oligomerization as revealed from molecular dynamics simulations

G. Stock, Cheng Lu, V. Knecht, 2016, Proteins.

Multidimensional Langevin Modeling of Nonoverdamped Dynamics.

Gerhard Stock, Norbert Schaudinnus, Rainer Hegger, 2015, Physical review letters.

Coherent vibrational energy transfer along a peptide helix.

P. Nguyen, G. Stock, M. Kobus, 2011, The Journal of chemical physics.

Investigation of Rare Protein Conformational Transitions via Dissipation-Corrected Targeted Molecular Dynamics.

G. Stock, Steffen Wolf, Matthias Post, 2023, Journal of chemical theory and computation.

Supporting information to : Hierarchical Biomolecular Dynamics : Picosecond Hydrogen Bonding Regulates Microsecond Conformational Transitions

G. Stock, Sebastian Buchenberg, Norbert Schaudinnus, 2015 .

Conformational dynamics of RNA-peptide binding: a molecular dynamics simulation study.

Gerhard Stock, Yuguang Mu, G. Stock, 2006, Biophysical journal.

Femtosecond spectroscopy of ultrafast nonadiabatic excited-state dynamics on the basis of ab initio potential-energy surfaces: the S2 state of pyrazine

G. Stock, W. Domcke, 1993 .

Infrared signatures of the peptide dynamical transition: a molecular dynamics simulation study.

P. Nguyen, G. Stock, M. Kobus, 2010, The Journal of chemical physics.

Scaling Rules for Vibrational Energy Transport in Globular Proteins.

D. Leitner, G. Stock, Sebastian Buchenberg, 2016, The journal of physical chemistry letters.

Structural flexibility of a helical peptide regulates vibrational energy transport properties.

C. Toniolo, M. Crisma, A. Moretto, 2008, The journal of physical chemistry. B.

Mapping approach to the semiclassical description of nonadiabatic quantum dynamics

Gerhard Stock, Michael Thoss, M. Thoss, 1999 .