Computational Approaches to the Chemical Equilibrium Constant in Protein-ligand Binding.

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Computational Approaches to the Chemical Equilibrium Constant in Protein-ligand Binding.

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2016 nî lūn-bûn

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2016年の論文

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2016年学术文章

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2016年学术文章

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2016年学术文章

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2016年学术文章

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2016年学术文章

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2016年學術文章

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Computational Approaches to the Chemical Equilibrium Constant in Protein-ligand Binding.

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Computational Approaches to the Chemical Equilibrium Constant in Protein-ligand Binding.

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Computational Approaches to the Chemical Equilibrium Constant in Protein-ligand Binding.

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P1476

Computational Approaches to the Chemical Equilibrium Constant in Protein-ligand Binding.

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P2093

Joel José Montalvo-Acosta

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P2860

Exploring the role of receptor flexibility in structure-based drug discovery

Prediction of binding constants of protein ligands: a fast method for the prioritization of hits obtained from de novo design or 3D database search programs

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models

Standard binding free energies from computer simulations: What is the best strategy?

Assessing the performance of MM/PBSA and MM/GBSA methods. 4. Accuracies of MM/PBSA and MM/GBSA methodologies evaluated by various simulation protocols using PDBbind data set.

Efficient evaluation of binding free energy using continuum electrostatics solvation.

Calculation of absolute protein-ligand binding free energy from computer simulations.

The statistical-thermodynamic basis for computation of binding affinities: a critical review

Allosteric mechanisms of signal transduction.

P304

555-567

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P31

scholarly article

P356

10.1002/MINF.201600052

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P433

11-12

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P478

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

P50

Marco Cecchini

P577

2016-08-24T00:00:00Z

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P698

27554325

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P921

computational biology