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Publications in Materials Chemistry

Markovian and Non-Markovian Modeling of Membrane Dynamics With Milestoning

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2016English

Adaptive Landscape Flattening Accelerates Sampling of Alchemical Space in Multisite Λ Dynamics

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2017English

A Study of the Α-Helical Intermediate Preceding the Aggregation of the Amino-Terminal Fragment of the Β Amyloid Peptide (Aβ1–28)

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2011English

Bunching Effect in Single-Molecule T4 Lysozyme Nonequilibrium Conformational Dynamics Under Enzymatic Reactions

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2010English

Modelling of Thermal Oxidation of Phosphite Stabilized Polyethylene

Polymer Degradation and Stability
Mechanics of MaterialsPolymersMaterials ChemistryCondensed Matter PhysicsPlastics
2011English

Single Tryptophan and Tyrosine Comparisons in the N-Terminal and C-Terminal Interface Regions of Transmembrane GWALP Peptides

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2013English

Gibbs Energy Modeling of the Cu-S Liquid Phase: Completion of the Thermodynamic Calculation of the Cu-S System

Metallurgical and Materials Transactions B
Mechanics of MaterialsAlloysMaterials ChemistryCondensed Matter PhysicsMetals
2020English

Conformational Sampling of Peptides in the Presence of Protein Crowders From AA/CG-Multiscale Simulations

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2012English

Fluorescence of Tryptophan in Designed Hairpin and TRP-Cage Miniproteins: Measurements of Fluorescence Yields and Calculations by Quantum Mechanical Molecular Dynamics Simulations

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2013English

Substrate Dependent Native Luminescence From Cytochromes P450 3A4, 2C9, and P450cam

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2016English

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