Error estimates for (semi-)empirical dispersion terms and large biomacromolecules.

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Recent Progress in Treating Protein-Ligand Interactions with Quantum-Mechanical Methods Mathematical and computational modeling in biology at multiple scales Application of a simple quantum chemical approach to ligand fragment scoring for Trypanosoma brucei pteridine reductase 1 inhibition.

P2860

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P2860

Error estimates for (semi-)empirical dispersion terms and large biomacromolecules.

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2013 nî lūn-bûn

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2013年の論文

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2013年学术文章

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Error estimates for (semi-)empirical dispersion terms and large biomacromolecules.

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Error estimates for

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Error estimates for (semi-)empirical dispersion terms and large biomacromolecules.

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Error estimates for

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Error estimates for (semi-)empirical dispersion terms and large biomacromolecules.

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Error estimates for

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P1476

Error estimates for (semi-)empirical dispersion terms and large biomacromolecules.

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P2093

Martin Korth

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P2860

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

The PDBbind database: collection of binding affinities for protein-ligand complexes with known three-dimensional structures.

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

The PDBbind database: methodologies and updates.

Hydrogen bonding and pi-stacking: how reliable are force fields? A critical evaluation of force field descriptions of nonbonded interactions.

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

Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory.

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu.

Supramolecular binding thermodynamics by dispersion-corrected density functional theory.

Protein-ligand interaction energies with dispersion corrected density functional theory and high-level wave function based methods.

P304

6515-6519

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scholarly article

P356

10.1039/C3OB41309H

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http://www.w3.org/2001/XMLSchema#string

P478

http://www.w3.org/2001/XMLSchema#string

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2013-08-21T00:00:00Z

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P698

23963227

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Error estimates for (semi-)empirical dispersion terms and large biomacromolecules.

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P2860

P2860

Error estimates for (semi-)empirical dispersion terms and large biomacromolecules.

description

name

type

label

prefLabel

P1433

P1476

P2093

P2860

P304

P31

P356

P433

P478

P577

P698

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P433

P478

P577

P698