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The Gas-Phase Photophysics of Eosin Y and its Maleimide Conjugate

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-05, Vol.120 (20), p.3484-3490

2016

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Scientific and regulatory evaluation of mechanistic in silico drug and disease models in drug development: Building model credibility

CPT: pharmacometrics and systems pharmacology, 2021-08, Vol.10 (8), p.804-825

2021

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Phenyl argentate aggregates [AgnPhn+1]− (n = 2–8): Models for the self-assembly of atom-precise polynuclear organometallics

The Journal of chemical physics, 2021-06, Vol.154 (22), p.224301-224301

2021

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Modeling the disruption of respiratory disease clinical trials by non-pharmaceutical COVID-19 interventions

Nature communications, 2022-04, Vol.13 (1), p.1980-1980, Article 1980

2022

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Experimental and theoretical 2p core-level spectra of size-selected gas-phase aluminum and silicon cluster cations: chemical shifts, geometric structure, and coordination-dependent screening

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (12), p.6651-6661

2019

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Chiral supramolecular gold-cysteine nanoparticles: Chiroptical and nonlinear optical properties

Progress in natural science, 2016-10, Vol.26 (5), p.455-460

2016

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Conformational changes in amyloid-beta (12-28) alloforms studied using action-FRET, IMS and molecular dynamics simulations

Chemical science (Cambridge), 2015-01, Vol.6 (8), p.5040-5047

2015

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Solving the Evidence Interpretability Crisis in Health Technology Assessment: A Role for Mechanistic Models?

Frontiers in medical technology, 2022-02, Vol.4, p.810315

2022

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Verifying and Validating Quantitative Systems Pharmacology and In Silico Models in Drug Development: Current Needs, Gaps, and Challenges

CPT: pharmacometrics and systems pharmacology, 2020-04, Vol.9 (4), p.195-197

2020

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Binding motifs of silver in prion octarepeat model peptides: a joint ion mobility, IR and UV spectroscopies, and theoretical approach

Physical chemistry chemical physics : PCCP, 2012-01, Vol.14 (32), p.11433-11440

2012

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A Mixed Quantum-Classical Description of Excitation Energy Transfer in Supramolecular Complexes: Förster Theory and beyond

Chemphyschem, 2011-02, Vol.12 (3), p.645-656

2011

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Synthesis, characterization and optical properties of low nuclearity liganded silver clusters: Ag31(SG)19 and Ag15(SG)11

Nanoscale, 2013, Vol.5 (12), p.5637-5643

2013

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Dimerization and conformation-related free energy landscapes of dye-tagged amyloid-β12-28 linked to FRET experiments

Physical chemistry chemical physics : PCCP, 2017-04, Vol.19 (14), p.9470-9477

2017

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Dimerization and conformation-related free energy landscapes of dye-tagged amyloid-β12-28 linked to FRET experimentsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp00611j

2017-04

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Towards a translational computational model of allergen challenge in mild asthma to support clinical development of an intranasal administration of a bacterial lysate

Journal of allergy and clinical immunology, 2023-02, Vol.151 (2), p.AB163-AB163

2023

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Dimerization and conformation-related free energy landscapes of dye-tagged amyloid-β 12-28 linked to FRET experiments

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (14), p.9470-9477

2017

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Advancing cancer drug development with mechanistic mathematical modeling: bridging the gap between theory and practice

Journal of pharmacokinetics and pharmacodynamics, 2024-06

2024

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Bringing Molecular Dynamics and Ion-Mobility Spectrometry Closer Together: Shape Correlations, Structure-Based Predictors, and Dissociation

The journal of physical chemistry. B, 2018-09, Vol.122 (35), p.8317-8329

2018

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Doubly Charged Silver Clusters Stabilized by Tryptophan: Ag42+ as an Optical Marker for Monitoring Particle Growth

Angewandte Chemie (International ed.), 2011-01, Vol.50 (4), p.878-881

International ed. in English, 2011

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A mixed quantum-classical description of pheophorbide a linear absorption spectra: Quantum-corrections of the Q(y)- and Q(x)-absorption vibrational satellites

Chemical physics letters, 2016-01, Vol.643, p.61-65

2016

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A quantitative systems pharmacology workflow toward optimal design and biomarker stratification of atopic dermatitis clinical trials

Journal of allergy and clinical immunology, 2024-05, Vol.153 (5), p.1330-1343

2024

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Ion mobility resolved photo‐fragmentation to discriminate protomers

Rapid communications in mass spectrometry, 2019-05, Vol.33 (S1), p.28-34

2019

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In silico exploration of atopic dermatitis phenotypes for clinical trial design optimization

Journal of allergy and clinical immunology, 2023-02, Vol.151 (2), p.AB155-AB155

2023

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Structural exploration and Förster theory modeling for the interpretation of gas-phase FRET measurements: Chromophore-grafted amyloid-β peptides

The Journal of chemical physics, 2015-07, Vol.143 (2), p.025101-025101

2015

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Visible Multiphoton Dissociation of Chromophore-Tagged Peptides

Journal of the American Society for Mass Spectrometry, 2017-10, Vol.28 (10), p.2181-2188

2017

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The Gas-Phase Photophysics of Eosin Y and its Maleimide Conjugate

Scientific and regulatory evaluation of mechanistic in silico drug and disease models in drug development: Building model credibility

Phenyl argentate aggregates [AgnPhn+1]− (n = 2–8): Models for the self-assembly of atom-precise polynuclear organometallics

Modeling the disruption of respiratory disease clinical trials by non-pharmaceutical COVID-19 interventions

Experimental and theoretical 2p core-level spectra of size-selected gas-phase aluminum and silicon cluster cations: chemical shifts, geometric structure, and coordination-dependent screening

Chiral supramolecular gold-cysteine nanoparticles: Chiroptical and nonlinear optical properties

Conformational changes in amyloid-beta (12-28) alloforms studied using action-FRET, IMS and molecular dynamics simulations

Solving the Evidence Interpretability Crisis in Health Technology Assessment: A Role for Mechanistic Models?

Verifying and Validating Quantitative Systems Pharmacology and In Silico Models in Drug Development: Current Needs, Gaps, and Challenges

Binding motifs of silver in prion octarepeat model peptides: a joint ion mobility, IR and UV spectroscopies, and theoretical approach

A Mixed Quantum-Classical Description of Excitation Energy Transfer in Supramolecular Complexes: Förster Theory and beyond

Synthesis, characterization and optical properties of low nuclearity liganded silver clusters: Ag31(SG)19 and Ag15(SG)11

Dimerization and conformation-related free energy landscapes of dye-tagged amyloid-β12-28 linked to FRET experiments

Dimerization and conformation-related free energy landscapes of dye-tagged amyloid-β12-28 linked to FRET experimentsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp00611j

Towards a translational computational model of allergen challenge in mild asthma to support clinical development of an intranasal administration of a bacterial lysate

Dimerization and conformation-related free energy landscapes of dye-tagged amyloid-β 12-28 linked to FRET experiments

Advancing cancer drug development with mechanistic mathematical modeling: bridging the gap between theory and practice

Bringing Molecular Dynamics and Ion-Mobility Spectrometry Closer Together: Shape Correlations, Structure-Based Predictors, and Dissociation

Doubly Charged Silver Clusters Stabilized by Tryptophan: Ag42+ as an Optical Marker for Monitoring Particle Growth

A mixed quantum-classical description of pheophorbide a linear absorption spectra: Quantum-corrections of the Q(y)- and Q(x)-absorption vibrational satellites

A quantitative systems pharmacology workflow toward optimal design and biomarker stratification of atopic dermatitis clinical trials

Ion mobility resolved photo‐fragmentation to discriminate protomers

In silico exploration of atopic dermatitis phenotypes for clinical trial design optimization

Structural exploration and Förster theory modeling for the interpretation of gas-phase FRET measurements: Chromophore-grafted amyloid-β peptides

Visible Multiphoton Dissociation of Chromophore-Tagged Peptides

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