Exploring stereochemical specificity of phosphotriesterase by MM-PBSA and MM-GBSA calculation and steered molecular dynamics simulation.

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Binding modes of Bcl-2 homology 3 (BH3) peptides with anti-apoptotic protein A1 and redesign of peptide inhibitors: a computational study.

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Exploring stereochemical specificity of phosphotriesterase by MM-PBSA and MM-GBSA calculation and steered molecular dynamics simulation.

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2016 nî lūn-bûn

@nan

2016年の論文

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2016年論文

@yue

2016年論文

@zh-hant

2016年論文

@zh-hk

2016年論文

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2016年論文

@zh-tw

2016年论文

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2016年论文

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2016年论文

@zh-cn

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Exploring stereochemical speci ...... molecular dynamics simulation.

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Exploring stereochemical speci ...... molecular dynamics simulation.

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Item

label

Exploring stereochemical speci ...... molecular dynamics simulation.

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Exploring stereochemical speci ...... molecular dynamics simulation.

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Exploring stereochemical speci ...... molecular dynamics simulation.

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Exploring stereochemical speci ...... molecular dynamics simulation.

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P1476

Exploring stereochemical speci ...... molecular dynamics simulation.

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P2093

Hanyong Jin

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

Hen Ye

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

Hui Zhao

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

Jingxuan Zhu

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

Siqi Zhang

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

Weiwei Han

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

Xin Li

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P2860

High resolution X-ray structures of different metal-substituted forms of phosphotriesterase from Pseudomonas diminuta

Enzymes for the Homeland Defense: Optimizing Phosphotriesterase for the Hydrolysis of Organophosphate Nerve Agents

Three-dimensional structure of the zinc-containing phosphotriesterase with the bound substrate analog diethyl 4-methylbenzylphosphonate

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

Characterization of domain-peptide interaction interface: prediction of SH3 domain-mediated protein-protein interaction network in yeast by generic structure-based models.

Molecular modeling to provide insight into the substrate binding and catalytic mechanism of human biliverdin-IXα reductase

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.

Structural determinants of the substrate and stereochemical specificity of phosphotriesterase.

Enhancement, relaxation, and reversal of the stereoselectivity for phosphotriesterase by rational evolution of active site residues.

Enzymatic neutralization of the chemical warfare agent VX: evolution of phosphotriesterase for phosphorothiolate hydrolysis.

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1-12

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scholarly article

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10.1080/07391102.2016.1244494

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P577

2016-10-03T00:00:00Z

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27691783

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Exploring stereochemical specificity of phosphotriesterase by MM-PBSA and MM-GBSA calculation and steered molecular dynamics simulation.

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P2860

P2860

Exploring stereochemical specificity of phosphotriesterase by MM-PBSA and MM-GBSA calculation and steered molecular dynamics simulation.

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P1476

P2093

P2860

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P356

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P698

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P1476

P2093

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P356

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