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CACNA1D De Novo Mutations in Autism Spectrum Disorders Activate Cav1.3 L-Type Calcium Channels

Biological psychiatry (1969), 2015-05, Vol.77 (9), p.816-822

2015

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Enthalpic and Entropic Contributions to Hydrophobicity

Journal of chemical theory and computation, 2016-09, Vol.12 (9), p.4600-4610

2016

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Identification of novel functional inhibitors of acid sphingomyelinase

PloS one, 2011-08, Vol.6 (8), p.e23852-e23852

2011

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Solvation Free Energy as a Measure of Hydrophobicity: Application to Serine Protease Binding Interfaces

Journal of chemical theory and computation, 2019-11, Vol.15 (11), p.5872-5882

2019

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The impact of nitration on the structure and immunogenicity of the major birch pollen allergen Bet v 1.0101

PloS one, 2014-08, Vol.9 (8), p.e104520-e104520

2014

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Highly Electrophilic, Catalytically Active and Redox‐Responsive Cobaltoceniumyl and Ferrocenyl Triazolylidene Coinage Metal Complexes

Chemistry : a European journal, 2018-03, Vol.24 (15), p.3742-3753

2018

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Protein-Protein Binding as a Two-Step Mechanism: Preselection of Encounter Poses during the Binding of BPTI and Trypsin

Biophysical journal, 2020-08, Vol.119 (3), p.652-666

2020

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Polarizable and non-polarizable force fields: Protein folding, unfolding, and misfolding

The Journal of chemical physics, 2020-11, Vol.153 (18), p.185102-185102

2020

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Assessing developability early in the discovery process for novel biologics

mAbs, 2023, Vol.15 (1), p.2171248-2171248

2023

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Polyreactive Broadly Neutralizing B cells Are Selected to Provide Defense against Pandemic Threat Influenza Viruses

Immunity (Cambridge, Mass.), 2020-12, Vol.53 (6), p.1230-1244.e5

2020

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Replacement of the Cobalt Center of Vitamin B12 by Nickel: Nibalamin and Nibyric Acid Prepared from Metal‐Free B12 Ligands Hydrogenobalamin and Hydrogenobyric Acid

Angewandte Chemie (International ed.), 2020-11, Vol.59 (45), p.20129-20136

International ed. in English, 2020

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Decomposing anharmonicity and mode-coupling from matrix effects in the IR spectra of matrix-isolated carbon dioxide and methane

Physical chemistry chemical physics : PCCP, 2020-08, Vol.22 (32), p.17932-17947

2020

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Asymmetric arginine dimethylation of RelA provides a repressive mark to modulate TNFα/NF-κB response

Proceedings of the National Academy of Sciences - PNAS, 2016-04, Vol.113 (16), p.4326-4331

2016

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Challenges in antibody structure prediction

mAbs, 2023-12, Vol.15 (1), p.2175319-2175319

2023

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The Structural Flexibility of PR-10 Food Allergens

International journal of molecular sciences, 2022-07, Vol.23 (15), p.8252

2022

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Toward Elimination of Discrepancies between Theory and Experiment: Anharmonic Rotational–Vibrational Spectrum of Water in Solid Noble Gas Matrices

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-09, Vol.123 (38), p.8234-8242

2019

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Characterizing the Diversity of the CDR-H3 Loop Conformational Ensembles in Relationship to Antibody Binding Properties

Frontiers in immunology, 2019-01, Vol.9, p.3065-3065

2019

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Zinc Substitution of Cobalt in Vitamin B12: Zincobyric acid and Zincobalamin as Luminescent Structural B12‐Mimics

Angewandte Chemie (International ed.), 2019-10, Vol.58 (41), p.14568-14572

International ed. in English, 2019

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How To Optimize Shape-Based Virtual Screening: Choosing the Right Query and Including Chemical Information

Journal of Chemical Information and Modeling, 2009-03, Vol.49 (3), p.678-692

2009

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Matched Molecular Pair Analysis: Significance and the Impact of Experimental Uncertainty

Journal of medicinal chemistry, 2014-05, Vol.57 (9), p.3786-3802

2014

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Macrocycle Cell Permeability Measured by Solvation Free Energies in Polar and Apolar Environments

Journal of chemical information and modeling, 2020-07, Vol.60 (7), p.3508-3517

2020

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Ensembles in solution as a new paradigm for antibody structure prediction and design

mAbs, 2021-01, Vol.13 (1), p.1923122-1923122

2021

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Land use/land cover classification and its change detection using multi-temporal MODIS NDVI data

Journal of geographical sciences, 2015-12, Vol.25 (12), p.1479-1506

2015

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Spatio-temporal estimation of consumptive water use for assessment of irrigation system performance and management of water resources in irrigated Indus Basin, Pakistan

Journal of hydrology (Amsterdam), 2015-06, Vol.525, p.26-41

2015

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FAH domain containing protein 1 (FAHD-1) is required for mitochondrial function and locomotion activity in C. elegans

PloS one, 2015-08, Vol.10 (8), p.e0134161-e0134161

2015

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CACNA1D De Novo Mutations in Autism Spectrum Disorders Activate Cav1.3 L-Type Calcium Channels

Enthalpic and Entropic Contributions to Hydrophobicity

Identification of novel functional inhibitors of acid sphingomyelinase

Solvation Free Energy as a Measure of Hydrophobicity: Application to Serine Protease Binding Interfaces

The impact of nitration on the structure and immunogenicity of the major birch pollen allergen Bet v 1.0101

Highly Electrophilic, Catalytically Active and Redox‐Responsive Cobaltoceniumyl and Ferrocenyl Triazolylidene Coinage Metal Complexes

Protein-Protein Binding as a Two-Step Mechanism: Preselection of Encounter Poses during the Binding of BPTI and Trypsin

Polarizable and non-polarizable force fields: Protein folding, unfolding, and misfolding

Assessing developability early in the discovery process for novel biologics

Polyreactive Broadly Neutralizing B cells Are Selected to Provide Defense against Pandemic Threat Influenza Viruses

Replacement of the Cobalt Center of Vitamin B12 by Nickel: Nibalamin and Nibyric Acid Prepared from Metal‐Free B12 Ligands Hydrogenobalamin and Hydrogenobyric Acid

Decomposing anharmonicity and mode-coupling from matrix effects in the IR spectra of matrix-isolated carbon dioxide and methane

Asymmetric arginine dimethylation of RelA provides a repressive mark to modulate TNFα/NF-κB response

Challenges in antibody structure prediction

The Structural Flexibility of PR-10 Food Allergens

Toward Elimination of Discrepancies between Theory and Experiment: Anharmonic Rotational–Vibrational Spectrum of Water in Solid Noble Gas Matrices

Characterizing the Diversity of the CDR-H3 Loop Conformational Ensembles in Relationship to Antibody Binding Properties

Zinc Substitution of Cobalt in Vitamin B12: Zincobyric acid and Zincobalamin as Luminescent Structural B12‐Mimics

How To Optimize Shape-Based Virtual Screening: Choosing the Right Query and Including Chemical Information

Matched Molecular Pair Analysis: Significance and the Impact of Experimental Uncertainty

Macrocycle Cell Permeability Measured by Solvation Free Energies in Polar and Apolar Environments

Ensembles in solution as a new paradigm for antibody structure prediction and design

Land use/land cover classification and its change detection using multi-temporal MODIS NDVI data

Spatio-temporal estimation of consumptive water use for assessment of irrigation system performance and management of water resources in irrigated Indus Basin, Pakistan

FAH domain containing protein 1 (FAHD-1) is required for mitochondrial function and locomotion activity in C. elegans

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