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Multivalency as a Chemical Organization and Action Principle

Angewandte Chemie (International ed.), 2012-10, Vol.51 (42), p.10472-10498

International ed. in English, 2012

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Proton solvation in protic and aprotic solvents

Journal of computational chemistry, 2016-05, Vol.37 (12), p.1082-1091

2016

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Computing pKA values of hexa-aqua transition metal complexes

Journal of computational chemistry, 2015-01, Vol.36 (2), p.69-78

2015

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Optimizing pKA computation in proteins with pH adapted conformations

Proteins, structure, function, and bioinformatics, 2008-05, Vol.71 (3), p.1335-1348

2008

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Accurate redox potentials of mononuclear iron, manganese, and nickel model complexes

Journal of computational chemistry, 2009-01, Vol.30 (2), p.203-211

2009

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Prediction using step-wise L1, L2 regularization and feature selection for small data sets with large number of features

BMC bioinformatics, 2011-10, Vol.12 (1), p.412-412, Article 412

2011

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Computing pKa Values in Different Solvents by Electrostatic Transformation

Journal of chemical theory and computation, 2016-07, Vol.12 (7), p.3360-3369

2016

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Structural and Vibrational Characterization of the Chromophore Binding Site of Bacterial Phytochrome Agp1

Photochemistry and photobiology, 2017-05, Vol.93 (3), p.713-723

2017

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Merging Structural Information from X‑ray Crystallography, Quantum Chemistry, and EXAFS Spectra: The Oxygen-Evolving Complex in PSII

The journal of physical chemistry. B, 2016-10, Vol.120 (42), p.10899-10922

2016

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α-Helices direct excitation energy flow in the Fenna-Matthews-Olson protein

Proceedings of the National Academy of Sciences - PNAS, 2007-10, Vol.104 (43), p.16862-16867

2007

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Empirical Conversion of pKa Values between Different Solvents and Interpretation of the Parameters: Application to Water, Acetonitrile, Dimethyl Sulfoxide, and Methanol

ACS omega, 2018-02, Vol.3 (2), p.1653-1662

2018

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pKA in proteins solving the Poisson-Boltzmann equation with finite elements

Journal of computational chemistry, 2015-11, Vol.36 (29), p.2147-2157

2015

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Energetics of a Possible Proton Exit Pathway for Water Oxidation in Photosystem II

Biochemistry (Easton), 2006-02, Vol.45 (7), p.2063-2071

2006

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Accurate pKa Determination for a Heterogeneous Group of Organic Molecules

Chemphyschem, 2004-10, Vol.5 (10), p.1513-1522

2004

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Optimized distance-dependent atom-pair-based potential DOOP for protein structure prediction

Proteins, structure, function, and bioinformatics, 2015-05, Vol.83 (5), p.881-890

2015

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Control of Quinone Redox Potentials in Photosystem II: Electron Transfer and Photoprotection

Journal of the American Chemical Society, 2005-10, Vol.127 (42), p.14714-14720

2005

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Database of protein complexes with multivalent binding ability: Bival-bind

Proteins, structure, function, and bioinformatics, 2014-05, Vol.82 (5), p.744-751

2014

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Influence of Heterogeneity on the Ultrafast Photoisomerization Dynamics of Pfr in Cph1 Phytochrome

Photochemistry and photobiology, 2017-05, Vol.93 (3), p.703-712

2017

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Novel protein folds and their nonsequential structural analogs

Protein science, 2008-08, Vol.17 (8), p.1374-1382

2008

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How Photosynthetic Reaction Centers Control Oxidation Power in Chlorophyll Pairs P680, P700, and P870

Proceedings of the National Academy of Sciences - PNAS, 2006-06, Vol.103 (26), p.9855-9860

2006

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Quantification of Local Electric Field Changes at the Active Site of Cytochrome c Oxidase by Fourier Transform Infrared Spectroelectrochemical Titrations

Frontiers in chemistry, 2021-04, Vol.9, p.669452-669452

2021

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C–H/O Interactions of Aromatic CH Donors within Proteins: A Crystallographic Study

Crystal growth & design, 2016-04, Vol.16 (4), p.1948-1957

2016

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Function of Redox-Active Tyrosine in Photosystem II

Biophysical journal, 2006-06, Vol.90 (11), p.3886-3896

2006

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Redox Potential of Quinones in Both Electron Transfer Branches of Photosystem I

The Journal of biological chemistry, 2003-12, Vol.278 (52), p.52002-52011

2003

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Protonation States of Ammonia/Ammonium in the Hydrophobic Pore of Ammonia Transporter Protein AmtB

Journal of the American Chemical Society, 2007-02, Vol.129 (5), p.1210-1215

2007

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Multivalency as a Chemical Organization and Action Principle

Proton solvation in protic and aprotic solvents

Computing pKA values of hexa-aqua transition metal complexes

Optimizing pKA computation in proteins with pH adapted conformations

Accurate redox potentials of mononuclear iron, manganese, and nickel model complexes

Prediction using step-wise L1, L2 regularization and feature selection for small data sets with large number of features

Computing pKa Values in Different Solvents by Electrostatic Transformation

Structural and Vibrational Characterization of the Chromophore Binding Site of Bacterial Phytochrome Agp1

Merging Structural Information from X‑ray Crystallography, Quantum Chemistry, and EXAFS Spectra: The Oxygen-Evolving Complex in PSII

α-Helices direct excitation energy flow in the Fenna-Matthews-Olson protein

Empirical Conversion of pKa Values between Different Solvents and Interpretation of the Parameters: Application to Water, Acetonitrile, Dimethyl Sulfoxide, and Methanol

pKA in proteins solving the Poisson-Boltzmann equation with finite elements

Energetics of a Possible Proton Exit Pathway for Water Oxidation in Photosystem II

Accurate pKa Determination for a Heterogeneous Group of Organic Molecules

Optimized distance-dependent atom-pair-based potential DOOP for protein structure prediction

Control of Quinone Redox Potentials in Photosystem II: Electron Transfer and Photoprotection

Database of protein complexes with multivalent binding ability: Bival-bind

Influence of Heterogeneity on the Ultrafast Photoisomerization Dynamics of Pfr in Cph1 Phytochrome

Novel protein folds and their nonsequential structural analogs

How Photosynthetic Reaction Centers Control Oxidation Power in Chlorophyll Pairs P680, P700, and P870

Quantification of Local Electric Field Changes at the Active Site of Cytochrome c Oxidase by Fourier Transform Infrared Spectroelectrochemical Titrations

C–H/O Interactions of Aromatic CH Donors within Proteins: A Crystallographic Study

Function of Redox-Active Tyrosine in Photosystem II

Redox Potential of Quinones in Both Electron Transfer Branches of Photosystem I

Protonation States of Ammonia/Ammonium in the Hydrophobic Pore of Ammonia Transporter Protein AmtB

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