Empirical hydrogen-bond potential functions--an old hat reconditioned. - Wikidata - awgldk - TriplyDB

Empirical hydrogen-bond potential functions--an old hat reconditioned.

Empirical hydrogen-bond potential functions--an old hat reconditioned.

http://www.wikidata.org/entity/Q37950968

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Recent Progress in Treating Protein-Ligand Interactions with Quantum-Mechanical Methods Large-scale virtual high-throughput screening for the identification of new battery electrolyte solvents: computing infrastructure and collective properties.Enhanced semiempirical QM methods for biomolecular interactions.Effect of quantum nuclear motion on hydrogen bonding.A third-generation dispersion and third-generation hydrogen bonding corrected PM6 method: PM6-D3H+.Error estimates for (semi-)empirical dispersion terms and large biomacromolecules.Explicit consideration of spatial hydrogen bonding direction for activity coefficient prediction based on implicit solvation calculations.Semiempirical quantum-chemical methods

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Empirical hydrogen-bond potential functions--an old hat reconditioned.

http://www.wikidata.org/entity/Q37950968

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article científic

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article scientifique

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artikel ilmiah

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Empirical hydrogen-bond potential functions--an old hat reconditioned.

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Empirical hydrogen-bond potential functions--an old hat reconditioned.

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Empirical hydrogen-bond potential functions--an old hat reconditioned.

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Empirical hydrogen-bond potential functions--an old hat reconditioned.

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Empirical hydrogen-bond potential functions--an old hat reconditioned.

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Empirical hydrogen-bond potential functions--an old hat reconditioned.

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Empirical hydrogen-bond potential functions--an old hat reconditioned.

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Martin Korth

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Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

All-atom empirical potential for molecular modeling and dynamics studies of proteins

A new hydrogen-bonding potential for the design of protein-RNA interactions predicts specific contacts and discriminates decoys

UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements

A biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force-field parameter sets 53A5 and 53A6

Directional hydrogen bonding to sp2- and sp3-hybridized oxygen atoms and its relevance to ligand-macromolecule interactions

Looking at self-consistent-charge density functional tight binding from a semiempirical perspective.

Potential energy functions for atomic-level simulations of water and organic and biomolecular systems

Accurate description of van der Waals complexes by density functional theory including empirical corrections.

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3131-3142

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scholarly article

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10.1002/CPHC.201100540

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17

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12

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2011-10-28T00:00:00Z

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51753486

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22038888

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