Comparison of radii sets, entropy, QM methods, and sampling on MM-PBSA, MM-GBSA, and QM/MM-GBSA ligand binding energies of F. tularensis enoyl-ACP reductase (FabI).

Comparison of radii sets, entropy, QM methods, and sampling on MM-PBSA, MM-GBSA, and QM/MM-GBSA ligand binding energies of F. tularensis enoyl-ACP reductase (FabI).

Item
http://www.wikidata.org/entity/Q36395518
Structure-based screening, ADMET profiling, and molecular dynamic studies on mGlu2 receptor for identification of newer antiepileptic agents.Evaluating thermodynamic integration performance of the new amber molecular dynamics package and assess potential halogen bonds of enoyl-ACP reductase (FabI) benzimidazole inhibitors.Benzimidazole-Based FabI Inhibitors: A Promising Novel Scaffold for Anti-staphylococcal Drug Development.Homology model, molecular dynamics simulation and novel pyrazole analogs design of Candida albicans CYP450 lanosterol 14 α-demethylase, a target enzyme for antifungal therapy.Structural Insight into Inhibition of CsrA-RNA Interaction Revealed by Docking, Molecular Dynamics and Free Energy Calculations.Recent Developments and Applications of the MMPBSA Method.2D-QSAR study, molecular docking, and molecular dynamics simulation studies of interaction mechanism between inhibitors and transforming growth factor-beta receptor I (ALK5).Effect of sampling on BACE-1 ligands binding free energy predictions via MM-PBSA calculations.Investigating the nucleic acid interactions of histone-derived antimicrobial peptides.The signaling pathway of dopamine D2 receptor (D2R) activation using normal mode analysis (NMA) and the construction of pharmacophore models for D2R ligands.Incorporating QM and solvation into docking for applications to GPCR targets.Exploring the interactions of a DNA aptamer with human serum albumins: simulation studies.In silico binding mechanism prediction of benzimidazole based corticotropin releasing factor-1 receptor antagonists by quantitative structure activity relationship, molecular docking and pharmacokinetic parameters calculation.Structure and energy based quantitative missense variant effect analysis provides insights into drug resistance mechanisms of anaplastic lymphoma kinase mutations.QM/MM study of the mechanism of reduction of 3-hydroxy-3-methylglutaryl coenzyme A catalyzed by human HMG-CoA reductase
P2860

Comparison of radii sets, entropy, QM methods, and sampling on MM-PBSA, MM-GBSA, and QM/MM-GBSA ligand binding energies of F. tularensis enoyl-ACP reductase (FabI).

Item
http://www.wikidata.org/entity/Q36395518
description
2015 nî lūn-bûn
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2015年の論文
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2015年学术文章
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name
Comparison of radii sets, entr ...... is enoyl-ACP reductase (FabI).
@ast
Comparison of radii sets, entr ...... is enoyl-ACP reductase (FabI).
@en
type
label
Comparison of radii sets, entr ...... is enoyl-ACP reductase (FabI).
@ast
Comparison of radii sets, entr ...... is enoyl-ACP reductase (FabI).
@en
prefLabel
Comparison of radii sets, entr ...... is enoyl-ACP reductase (FabI).
@ast
Comparison of radii sets, entr ...... is enoyl-ACP reductase (FabI).
@en
P1433
P1476
P2093
P2860
P304
P31
P356
P433
P478
P50
P577
P698
P921
P932
P356
P1433
P1476
Comparison of radii sets, entr ...... is enoyl-ACP reductase (FabI).
@en
P2093
P2860
P304
P31
P356
P433
P478
P50
P577
P698
P921
P932