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Publications by Michelle Southey

Rapid and Accurate Assessment of GPCR-ligand Interactions Using the Fragment Molecular Orbital-Based Density-Functional Tight-Binding Method

Journal of Computational Chemistry

Computational Mathematics

English

Related publications

Analysis of Ligand Binding Specificity of Estrogen Receptor by the Fragment Molecular Orbital Method

Journal of Computer Chemistry, Japan

English

STUDY OF TiO2 NANOPARTICLES’ STRUCTURE USING DENSITY FUNCTIONAL THEORY BASED TIGHT BINDING METHOD

Scientific Journal of Tra Vinh University

English

Molecular Electrostatic Potential and Electron Density of Large Systems in Solution Computed With the Fragment Molecular Orbital Method

English

Structure and Stability of Molecular Crystals With Many-Body Dispersion-Inclusive Density Functional Tight Binding

English

Efficient Calculation of Fragment Molecular Orbital Method With Continuous Multipole Method

Journal of Computer Aided Chemistry

English

Generalized Hybrid-Orbital Method for Combining Density Functional Theory With Molecular Mechanicals

Theoretical Chemistry

Molecular Physics,

English

Large-Scale MP2 Calculations on the Blue Gene Architecture Using the Fragment Molecular Orbital Method

Journal of Chemical Theory and Computation

Theoretical Chemistry

Computer Science Applications

English

Density Functional Based Tight Binding Study of C2 and CN Deposition on (100) Diamond Surface

Materials Research Society Symposium - Proceedings

Mechanics of Materials

Materials Science

Condensed Matter Physics

Mechanical Engineering

English

A Combined Effective Fragment Potential–fragment Molecular Orbital Method. I. The Energy Expression and Initial Applications

Journal of Chemical Physics

Theoretical Chemistry

English