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Nonadiabatic excited-state intramolecular proton transfer in 3-hydroxyflavone: S2 state involvement via multi-mode effect

The Journal of chemical physics, 2019-12, Vol.151 (21), p.214304-214304

2019

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New QM/MM implementation of the DFTB3 method in the gromacs package

Journal of computational chemistry, 2015-10, Vol.36 (26), p.1978-1989

2015

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Multiscale Simulations on Charge Transport in Covalent Organic Frameworks Including Dynamics of Transfer Integrals from the FMO-DFTB/LCMO Approach

Journal of physical chemistry. C, 2017-08, Vol.121 (33), p.17712-17726

2017

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Towards an Understanding of Channelrhodopsin Function: Simulations Lead to Novel Insights of the Channel Mechanism

Journal of molecular biology, 2013-05, Vol.425 (10), p.1795-1814

2013

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Cryptic bioactivity capacitated by synthetic hybrid plant peptides

Nature communications, 2017-02, Vol.8 (1), p.14318-14318, Article 14318

2017

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QM/MM simulations of vibrational spectra of bacteriorhodopsin and channelrhodopsin-2

Physical chemistry chemical physics : PCCP, 2013-05, Vol.15 (18), p.6651-6659

2013

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Excitation energies of a water-bridged twisted retinal structure in the bacteriorhodopsin proton pump: a theoretical investigation

Physical chemistry chemical physics : PCCP, 2013-08, Vol.15 (30), p.12582-12590

2013

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The robot software framework ArmarX

Information technology (Munich, Germany), 2015-04, Vol.57 (2), p.99-111

2015

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Color Tuning in Binding Pocket Models of the Chlamydomonas-Type Channelrhodopsins

The journal of physical chemistry. B, 2011-12, Vol.115 (50), p.15119-15128

2011

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Fragment Orbital Based Description of Charge Transfer in Peptides Including Backbone Orbitals

The journal of physical chemistry. B, 2014-04, Vol.118 (16), p.4261-4272

2014

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Nonadiabatic excited-state intramolecular proton transfer in 3-hydroxyflavone: S 2 state involvement via multi-mode effect

The Journal of chemical physics, 2019-12, Vol.151 (21), p.214304

2019

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Freezing, melting and structure of ice in a hydrophilic nanopore

Physical chemistry chemical physics : PCCP, 2010-01, Vol.12 (16), p.4124-4134

2010

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A Macrocyclic Fluorophore Dimer with Flexible Linkers: Bright Excimer Emission with a Long Fluorescence Lifetime

Angewandte Chemie International Edition, 2016-06, Vol.55 (25), p.7131-7135

International ed. in English, 2016

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Structural Model of Channelrhodopsin

The Journal of biological chemistry, 2012-03, Vol.287 (10), p.7456-7466

2012

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ARMAR-III: Advances in Humanoid Grasping and Manipulation

Journal of the Robotics Society of Japan, 2013, Vol.31(4), pp.341-346

2013

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Excitation energies of a water-bridged twisted retinal structure in the bacteriorhodopsin proton pump: a theoretical investigationElectronic upplementary information (ESI) available: Retinal dihedral angles for X-ray and QM/MM optimized structures. See DOI: 10.1039/c3cp44280b

2013-07

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QM/MM simulations of vibrational spectra of bacteriorhodopsin and channelrhodopsin-2Electronic supplementary information (ESI) available: Detailed benchmark of DFTB performance with respect to DFT. See DOI: 10.1039/c3cp44181d

2013-04

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Qm/mm simulations of channelrhodopsins - elucidating structure and spectroscopic properties

Welke, Kai

2013

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A Macrocyclic Fluorophore Dimer with Flexible Linkers: Bright Excimer Emission with a Long Fluorescence Lifetime

Angewandte Chemie, 2016-06, Vol.128 (25), p.7247-7251

2016

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Unconstrained Real-time Markerless Hand Tracking for Humanoid Interaction

2006 6th IEEE-RAS International Conference on Humanoid Robots, 2006, p.88-93

2006

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Exploiting similarities for robot perception

2007 IEEE/RSJ International Conference on Intelligent Robots and Systems, 2007, p.3237-3242

2007

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The Karlsruhe Humanoid Head

Humanoids 2008 - 8th IEEE-RAS International Conference on Humanoid Robots, 2008, p.447-453

2008

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Grounded spatial symbols for task planning based on experience

2013 13th IEEE-RAS International Conference on Humanoid Robots (Humanoids), 2013, p.484-491

2013

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Gaze selection during manipulation tasks

2013 IEEE International Conference on Robotics and Automation, 2013, p.652-659

2013

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Autonomous acquisition of visual multi-view object representations for object recognition on a humanoid robot

2010 IEEE International Conference on Robotics and Automation, 2010, p.2012-2019

2010

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Nonadiabatic excited-state intramolecular proton transfer in 3-hydroxyflavone: S2 state involvement via multi-mode effect

New QM/MM implementation of the DFTB3 method in the gromacs package

Multiscale Simulations on Charge Transport in Covalent Organic Frameworks Including Dynamics of Transfer Integrals from the FMO-DFTB/LCMO Approach

Towards an Understanding of Channelrhodopsin Function: Simulations Lead to Novel Insights of the Channel Mechanism

Cryptic bioactivity capacitated by synthetic hybrid plant peptides

QM/MM simulations of vibrational spectra of bacteriorhodopsin and channelrhodopsin-2

Excitation energies of a water-bridged twisted retinal structure in the bacteriorhodopsin proton pump: a theoretical investigation

The robot software framework ArmarX

Color Tuning in Binding Pocket Models of the Chlamydomonas-Type Channelrhodopsins

Fragment Orbital Based Description of Charge Transfer in Peptides Including Backbone Orbitals

Nonadiabatic excited-state intramolecular proton transfer in 3-hydroxyflavone: S 2 state involvement via multi-mode effect

Freezing, melting and structure of ice in a hydrophilic nanopore

A Macrocyclic Fluorophore Dimer with Flexible Linkers: Bright Excimer Emission with a Long Fluorescence Lifetime

Structural Model of Channelrhodopsin

ARMAR-III: Advances in Humanoid Grasping and Manipulation

Excitation energies of a water-bridged twisted retinal structure in the bacteriorhodopsin proton pump: a theoretical investigationElectronic upplementary information (ESI) available: Retinal dihedral angles for X-ray and QM/MM optimized structures. See DOI: 10.1039/c3cp44280b

QM/MM simulations of vibrational spectra of bacteriorhodopsin and channelrhodopsin-2Electronic supplementary information (ESI) available: Detailed benchmark of DFTB performance with respect to DFT. See DOI: 10.1039/c3cp44181d

Qm/mm simulations of channelrhodopsins - elucidating structure and spectroscopic properties

A Macrocyclic Fluorophore Dimer with Flexible Linkers: Bright Excimer Emission with a Long Fluorescence Lifetime

Unconstrained Real-time Markerless Hand Tracking for Humanoid Interaction

Exploiting similarities for robot perception

The Karlsruhe Humanoid Head

Grounded spatial symbols for task planning based on experience

Gaze selection during manipulation tasks

Autonomous acquisition of visual multi-view object representations for object recognition on a humanoid robot

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