Evaluating thermodynamic integration performance of the new amber molecular dynamics package and assess potential halogen bonds of enoyl-ACP reductase (FabI) benzimidazole inhibitors.
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Homology model, molecular dynamics simulation and novel pyrazole analogs design of Candida albicans CYP450 lanosterol 14 α-demethylase, a target enzyme for antifungal therapy.A computational approach for designing D-proteins with non-canonical amino acid optimised binding affinity.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.
P2860
Evaluating thermodynamic integration performance of the new amber molecular dynamics package and assess potential halogen bonds of enoyl-ACP reductase (FabI) benzimidazole inhibitors.
description
2015 nî lūn-bûn
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2015年の論文
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2015年論文
@yue
2015年論文
@zh-hant
2015年論文
@zh-hk
2015年論文
@zh-mo
2015年論文
@zh-tw
2015年论文
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2015年论文
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2015年论文
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name
Evaluating thermodynamic integ ...... abI) benzimidazole inhibitors.
@ast
Evaluating thermodynamic integ ...... abI) benzimidazole inhibitors.
@en
type
label
Evaluating thermodynamic integ ...... abI) benzimidazole inhibitors.
@ast
Evaluating thermodynamic integ ...... abI) benzimidazole inhibitors.
@en
prefLabel
Evaluating thermodynamic integ ...... abI) benzimidazole inhibitors.
@ast
Evaluating thermodynamic integ ...... abI) benzimidazole inhibitors.
@en
P2860
P356
P1476
Evaluating thermodynamic integ ...... abI) benzimidazole inhibitors.
@en
P2093
Michael E Johnson
Pin-Chih Su
P2860
P304
P356
10.1002/JCC.24274
P577
2015-12-15T00:00:00Z