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Longer titles found: Screened Coulomb potentials implicit solvent model (view)

searching for Solvent model 11 found (15 total)

Orientations of Proteins in Membranes database (923 words) [view diff] exact match in snippet view article find links to article

PMID 17603894. Lomize, AL; Pogozheva, ID; Mosberg, HI (2011). "Anisotropic solvent model of the lipid bilayer. 1. Parameterization of long-range electrostatics

List of things named after Charles-Augustin de Coulomb (129 words) [view diff] case mismatch in snippet view article find links to article

Coulombic decay Mohr–Coulomb theory Screened Coulomb Potentials Implicit Solvent Model Statcoulomb (Symbol statC) Coulomb (disambiguation) Coulombs (disambiguation)

Low-density polyethylene (921 words) [view diff] exact match in snippet view article find links to article

novel halogenated flame retardants with the large volume model and co-solvent model". Chemosphere. 277: 130235. Bibcode:2021Chmsp.27730235Q. doi:10.1016/j

Comparison of software for molecular mechanics modeling (379 words) [view diff] exact match in snippet view article find links to article

Sandia MacroModel Yes Yes Yes Yes Yes No I Yes No OPLS-AA, MMFF, GBSA solvent model, conformational sampling, minimizing, MD. Includes the Maestro GUI which

Life with PlayStation (804 words) [view diff] exact match in snippet view article find links to article

done. The software update also added the Generalized Born implicit solvent model, which broadened the PS3 client's computing capabilities. On September

Molecular mechanics (2,328 words) [view diff] exact match in snippet view article find links to article

specific interactions with a solute that are not well captured by the solvent model, such as water molecules that are part of the hydrogen bond network

Steroid hormone (1,674 words) [view diff] exact match in snippet view article find links to article

steroid hormones across biomembranes: A simplex search with implicit solvent model calculations". Biophysical Journal. 87 (2): 768–79. Bibcode:2004BpJ

Docking (molecular) (3,935 words) [view diff] exact match in snippet view article

2003). "FDS: flexible ligand and receptor docking with a continuum solvent model and soft-core energy function". Journal of Computational Chemistry.

Protein folding (8,728 words) [view diff] exact match in snippet view article find links to article

silico. First equilibrium folding simulations were done using implicit solvent model and umbrella sampling. Because of computational cost, ab initio MD folding

Nuclear magnetic resonance spectroscopy of carbohydrates (1,529 words) [view diff] exact match in snippet view article find links to article

GAUSSIAN respectively. Included information: used theory level/basis set/solvent model, accuracy of prediction (linear correlation factor and root mean square

Vibrational solvatochromism (2,089 words) [view diff] exact match in snippet view article find links to article

validity due to the approximate nature of the dielectric continuum solvent model, researchers still often use this theory for vibrational solvatochromism