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Discovering mountain passes via torchlight: methods for the definition of reaction coordinates and pathways in complex macromolecular reactions

Annual review of physical chemistry, 2013-01, Vol.64 (1), p.295-316

2013

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Determination of reaction coordinates via locally scaled diffusion map

The Journal of chemical physics, 2011-03, Vol.134 (12), p.124116-124116-11

2011

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Multiscale approach to the determination of the photoactive yellow protein signaling state ensemble

PLoS computational biology, 2014-10, Vol.10 (10), p.e1003797-e1003797

2014

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Rapid computation of intermolecular interactions in molecular and ionic clusters: self-consistent polarization plus symmetry-adapted perturbation theory

Physical chemistry chemical physics : PCCP, 2012-06, Vol.14 (21), p.7679-7699

2012

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A long-range-corrected density functional that performs well for both ground-state properties and time-dependent density functional theory excitation energies, including charge-transfer excited states

The Journal of chemical physics, 2009-02, Vol.130 (5), p.054112-054112-8

2009

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Simultaneous benchmarking of ground- and excited-state properties with long-range-corrected density functional theory

The Journal of chemical physics, 2008-07, Vol.129 (3), p.034107-034107

2008

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Rapid Exploration of Configuration Space with Diffusion-Map-Directed Molecular Dynamics

The journal of physical chemistry. B, 2013-10, Vol.117 (42), p.12769-12776

2013

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Charge-Transfer Excited States in a π-Stacked Adenine Dimer, As Predicted Using Long-Range-Corrected Time-Dependent Density Functional Theory

The journal of physical chemistry. B, 2008-05, Vol.112 (20), p.6304-6308

2008

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TransVar: a multilevel variant annotator for precision genomics

Nature methods, 2015-11, Vol.12 (11), p.1002-1003

2015

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Polymer reversal rate calculated via locally scaled diffusion map

The Journal of chemical physics, 2011-04, Vol.134 (14), p.144109-144109-8

2011

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RPPA SPACE: an R package for normalization and quantitation of Reverse-Phase Protein Array data

Bioinformatics (Oxford, England), 2022-11, Vol.38 (22), p.5131-5133

2022

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Delineation of Folding Pathways of a β-Sheet Miniprotein

The journal of physical chemistry. B, 2011-11, Vol.115 (44), p.13065-13074

2011

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Molecular recognition of DNA by ligands: roughness and complexity of the free energy profile

The Journal of chemical physics, 2013-10, Vol.139 (14), p.145102-145102

2013

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Publisher's Note: “Molecular recognition of DNA by ligands: Roughness and complexity of the free energy profile” [J. Chem. Phys. 139, 145102 (2013)]

The Journal of chemical physics, 2013-12, Vol.139 (22)

2013

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Probing intermolecular communication via lattice phonons with time-resolved coherent anti-Stokes Raman scattering

Molecular physics, 2006-04, Vol.104 (8), p.1161-1178

2006

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The Official Survey of Detergents and Cleansing Agents in Practice

Tenside Surfactants Detergents, 2003-07, Vol.40 (4), p.185-186

Rohrdanz, A.

2003

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Charge-Transfer Excited States in a π-Stacked Adenine Dimer, As Predicted Using Long-Range-Corrected Time-Dependent Density Functional Theory

The journal of physical chemistry. B, 2008-06, Vol.112 (24), p.7345-7345

2008

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Environmental Care and Consumer Protection – Example for the Official Survey of Laundry Detergents and Cleansing Agents

Tenside Surfactants Detergents, 2004-09, Vol.41 (4), p.187-189

2004

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Controlled spontaneous emission

Journal of physics. B, Atomic, molecular, and optical physics, 2008-02, Vol.41 (4), p.045504-045504 (8)

2008

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Multiscale Approach to the Determination of the Photoactive Yellow Protein Signaling State Ensemble: e1003797

PLoS computational biology, 2014-10, Vol.10 (10)

2014

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Simultaneous benchmarking of ground- and excited-state propertieswith long-range-corrected density functional theory

The Journal of chemical physics, 2008-07, Vol.129 (3), p.034107-034107-9

2008

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Überwachung von Wasch- und Reinigungsmitteln

Tenside Surfactants Detergents, 1998-11, Vol.35 (6), p.454-458

Rohrdanz, A.

1998

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Erratum: Probing intermolecular communication via lattice phonons with time-resolved coherent anti-Stokes Raman scattering

Molecular physics, 2007-12, Vol.105 (23-24), p.3187-3187

2007

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Intermolecular communication via lattice phonons, probed by ultrafast spectroscopy

Rohrdanz, Mary A

2005

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Multiscale characterization of macromolecular dynamics: application to photoacitve yellow protein

Proceedings of the Conference on Extreme Science and Engineering Discovery Environment: Gateway to Discovery, 2013, p.1-4

2013

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Discovering mountain passes via torchlight: methods for the definition of reaction coordinates and pathways in complex macromolecular reactions

Determination of reaction coordinates via locally scaled diffusion map

Multiscale approach to the determination of the photoactive yellow protein signaling state ensemble

Rapid computation of intermolecular interactions in molecular and ionic clusters: self-consistent polarization plus symmetry-adapted perturbation theory

A long-range-corrected density functional that performs well for both ground-state properties and time-dependent density functional theory excitation energies, including charge-transfer excited states

Simultaneous benchmarking of ground- and excited-state properties with long-range-corrected density functional theory

Rapid Exploration of Configuration Space with Diffusion-Map-Directed Molecular Dynamics

Charge-Transfer Excited States in a π-Stacked Adenine Dimer, As Predicted Using Long-Range-Corrected Time-Dependent Density Functional Theory

TransVar: a multilevel variant annotator for precision genomics

Polymer reversal rate calculated via locally scaled diffusion map

RPPA SPACE: an R package for normalization and quantitation of Reverse-Phase Protein Array data

Delineation of Folding Pathways of a β-Sheet Miniprotein

Molecular recognition of DNA by ligands: roughness and complexity of the free energy profile

Publisher's Note: “Molecular recognition of DNA by ligands: Roughness and complexity of the free energy profile” [J. Chem. Phys. 139, 145102 (2013)]

Probing intermolecular communication via lattice phonons with time-resolved coherent anti-Stokes Raman scattering

The Official Survey of Detergents and Cleansing Agents in Practice

Charge-Transfer Excited States in a π-Stacked Adenine Dimer, As Predicted Using Long-Range-Corrected Time-Dependent Density Functional Theory

Environmental Care and Consumer Protection – Example for the Official Survey of Laundry Detergents and Cleansing Agents

Controlled spontaneous emission

Multiscale Approach to the Determination of the Photoactive Yellow Protein Signaling State Ensemble: e1003797

Simultaneous benchmarking of ground- and excited-state propertieswith long-range-corrected density functional theory

Überwachung von Wasch- und Reinigungsmitteln

Erratum: Probing intermolecular communication via lattice phonons with time-resolved coherent anti-Stokes Raman scattering

Intermolecular communication via lattice phonons, probed by ultrafast spectroscopy

Multiscale characterization of macromolecular dynamics: application to photoacitve yellow protein

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