Force Field - Globe Thesis

Keyword [Force Field] Result: 161 - 180 \| Page: 9 of 10
161.	Structural plasticity and conformational transitions of biological macromolecules: HIV gp120
162.	Refinement, validation, and application of a charge equilibration force field for simulations of phospholipid bilayers
163.	Molecular dynamics simulations and theory of intermolecular interactions in solutions
164.	Development of improved torsional potentials in classical force field descriptions of poly (lactic acid)
165.	Force field parameters and NMR spectroscopy of modified nucleic acids
166.	I. A novel computational methodology for identifying RNA minimum sequence requirements for ligand binding and recognition. II. Fluorine force field parameterization and modeling of organic fluorine
167.	Molecular dynamics simulation studies of DNA and proteins: Force field parameter development for small ligands and convergence analysis for simulations of biomolecules
168.	Development of a ReaxFF reactive force field for titanium dioxide/water systems and its applications to etching, nanoparticles with organic solvents and ion adsorptions on nanocrystalline surfaces
169.	Improved generation of large-scale atomistic representations and pyrolysis/combustion simulations of Illinois coal and coal char using the ReaxFF reactive force field
170.	Quantum and molecular modeling of polylactide
171.	Development and application of a ReaxFF reactive force field for hydrocarbon cracking on an aluminiosilicate zeolite catalyst
172.	Computational Studies of Chemical Systems: I. A Molecular Dynamics Simulation of Methane Hydrate; II. Theoretical Investigation of Water Loading on a Pyrophyllite (001) Surface
173.	Computational Studies of the Breathing Motion of the Metal-Organic Framework DMOF-1
174.	Development of quantum chemistry-based polarizable potential to describe intermolecular interactions of nonionic polymers with water
175.	An electrochemical and molecular modeling study of poly(vinylferrocene). Part I. Extended potential ranges on gold. Part II. Molecular modeling using the extensible systematic force field (ESFF)
176.	Molecular simulation and experimental studies of thin films on solid surfaces
177.	Molecular dynamics simulations of cations and hydrofluorocarbons in faujasite-type zeolites
178.	Structure and dynamics of Okazaki fragment models
179.	Sampling the potential energy surface of a DNA duplex damaged by a food carcinogen: Force field parameterization by ab initio quantum calculations and conformational searching using molecular mechanics computations
180.	Development of a reaxff reactive force field for silicon/oxygen/hydrogen/fluoride interactions and applications to hydroxylation and friction
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