Description of non-covalent interactions in SCC-DFTB methods.

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Intermolecular interactions in the condensed phase: Evaluation of semi-empirical quantum mechanical methods.Superior Performance of the SQM/COSMO Scoring Functions in Native Pose Recognition of Diverse Protein–Ligand Complexes in Cognate Docking.

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Description of non-covalent interactions in SCC-DFTB methods.

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2017 nî lūn-bûn

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2017年の論文

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Description of non-covalent interactions in SCC-DFTB methods.

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Description of non-covalent interactions in SCC-DFTB methods.

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Description of non-covalent interactions in SCC-DFTB methods.

@en

Description of non-covalent interactions in SCC-DFTB methods.

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Description of non-covalent interactions in SCC-DFTB methods.

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Description of non-covalent interactions in SCC-DFTB methods.

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P1476

Description of non-covalent interactions in SCC-DFTB methods.

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P2093

Vijay Madhav Miriyala

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P2860

Density-functional expansion methods: Grand challenges

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

Extended polarization in third-order SCC-DFTB from chemical-potential equalization.

Polarized Molecular Orbital Model Chemistry 3. The PMO Method Extended to Organic Chemistry

Semiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications.

The accuracy of quantum chemical methods for large noncovalent complexes.

Benchmark Calculations of Interaction Energies in Noncovalent Complexes and Their Applications.

S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures.

Semiempirical Quantum Chemical PM6 Method Augmented by Dispersion and H-Bonding Correction Terms Reliably Describes Various Types of Noncovalent Complexes.

Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical Methods.

P31

scholarly article

P356

10.1002/JCC.24725

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P50

Jan Řezáč

P577

2017-01-17T00:00:00Z

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P698

28093777

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Description of non-covalent interactions in SCC-DFTB methods.

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P2860

P2860

Description of non-covalent interactions in SCC-DFTB methods.

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P1433

P1476

P2093

P2860

P31

P356

P50

P577

P698

P356

P1433

P1476

P2093

P2860

P31

P356

P50

P577

P698