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List of works by Micholas Dean Smith

A Multifunctional Cosolvent Pair Reveals Molecular Principles of Biomass Deconstruction

scientific article published on 31 July 2019

Capturing Deuteration Effects in a Molecular Mechanics Force Field: Deuterated THF and the THF-Water Miscibility Gap

scientific article published on 26 March 2020

Changes to the structure and dynamics in mutations of Aβ(21-30) caused by ions in solution

scientific article published on 21 November 2013

Effect of ionic aqueous environments on the structure and dynamics of the Aβ(21-30) fragment: a molecular-dynamics study

scientific article published on 29 May 2013

Force-Field Induced Bias in the Structure of Aβ21-30: A Comparison of OPLS, AMBER, CHARMM, and GROMOS Force Fields

scientific article published on 2 December 2015

Ligand-Dependent Sodium Ion Dynamics within the A2A Adenosine Receptor: A Molecular Dynamics Study

scientific article published on 12 September 2019

Lipid Rafts: Buffers of Cell Membrane Physical Properties

scientific article published on 11 January 2019

Modeling of the Passive Permeation of Mercury and Methylmercury Complexes Through a Bacterial Cytoplasmic Membrane.

scientific article

Mycolyltransferase from Mycobacterium tuberculosis in covalent complex with tetrahydrolipstatin provides insights into Antigen 85 catalysis.

scientific article published on 19 January 2018

Organosolv-Water Cosolvent Phase Separation on Cellulose and its Influence on the Physical Deconstruction of Cellulose: A Molecular Dynamics Analysis

scientific article published on 3 November 2017

Relationship between lignocellulosic biomass dissolution and physicochemical properties of ionic liquids composed of 3-methylimidazolium cations and carboxylate anions

scientific article published on 9 January 2018

Spontaneous dimer states of the Aβ(21-30) decapeptide

scientific article published on 01 July 2014

Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19

scientific article published on 16 December 2020

The stability of a β-hairpin is altered by surface-water interactions under confinement

scientific article published on 24 March 2014

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