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Publications by Alexander D. MacKerell

Structural Mechanism Associated With Domain Opening in Gain-Of-Function Mutations in SHP2 Phosphatase

Proteins: Structure, Function and Genetics
BiochemistryStructural BiologyMolecular Biology
2011English

Correction to Intrinsic Energy Landscapes of Amino Acid Side-Chains

Journal of Chemical Information and Modeling
Computer Science ApplicationsChemistryChemical EngineeringLibraryInformation Sciences
2012English

Kirkwood-Buff Analysis of Aqueous N-Methylacetamide and Acetamide Solutions Modeled by the CHARMM Additive and Drude Polarizable Force Fields

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2013English

Perturbation of Long-Range Water Dynamics as the Mechanism for the Antifreeze Activity of Antifreeze Glycoprotein

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2014English

Comprehensive Conformational Studies of Five Tripeptides and a Deduced Method for Efficient Determinations of Peptide Structures

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2012English

Molecular Details of the Activation of the Μ Opioid Receptor

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2013English

Atomistic Simulation Study of Linear Alkylbenzene Sulfonates at the Water/Air Interface

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2010English

Conformational Preference of Serogroup B Salmonella O Polysaccharide in Presence and Absence of the Monoclonal Antibody Se155–4

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2016English

Balancing the Interactions of Mg2+ in Aqueous Solution and With Nucleic Acid Moieties for a Polarizable Force Field Based on the Classical Drude Oscillator Model

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2016English

Polarizable Empirical Force Field for Acyclic Polyalcohols Based on the Classical Drude Oscillator

Biopolymers
BiochemistryMedicineBiomaterialsOrganic ChemistryBiophysics
2013English

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