Explicit Ligand Hydration Shells Improve the Correlation between MM-PB/GBSA Binding Energies and Experimental Activities.

Explicit Ligand Hydration Shells Improve the Correlation between MM-PB/GBSA Binding Energies and Experimental Activities.

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http://www.wikidata.org/entity/Q40303491
dMM-PBSA: A New HADDOCK Scoring Function for Protein-Peptide DockingAssessing 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.Interactions of omeprazole-based analogues with cytochrome P450 2C19: a computational study.Dynamics of Hydration Water Plays a Key Role in Determining the Binding Thermodynamics of Protein Complexes.Statistical Analysis on the Performance of Molecular Mechanics Poisson-Boltzmann Surface Area versus Absolute Binding Free Energy Calculations: Bromodomains as a Case Study.Peptide modulators of Rac1/Tiam1 protein-protein interaction: An alternative approach for cardiovascular diseases.Computational insights into the inhibition and destabilization of morin on the oligomer of full-length human islet amyloid polypeptide.An Efficient Implementation of the Nwat-MMGBSA Method to Rescore Docking Results in Medium-Throughput Virtual Screenings.Small Molecules Targeting the Inactive Form of the Mnk1/2 Kinases.
P2860

Explicit Ligand Hydration Shells Improve the Correlation between MM-PB/GBSA Binding Energies and Experimental Activities.

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http://www.wikidata.org/entity/Q40303491
description
2013 nî lūn-bûn
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2013年の論文
@ja
2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
@wuu
2013年论文
@zh
2013年论文
@zh-cn
name
Explicit Ligand Hydration Shel ...... s and Experimental Activities.
@en
type
label
Explicit Ligand Hydration Shel ...... s and Experimental Activities.
@en
prefLabel
Explicit Ligand Hydration Shel ...... s and Experimental Activities.
@en
P1433
P1476
P2093
P304
P31
P356
P433
P478
P50
P577
P5875
P698
P356
P1433
P1476
Explicit Ligand Hydration Shel ...... es and Experimental Activities
@en
P2093
P304
P31
P356
P433
P478
P50
P577
P5875
P698