Molecular modeling-driven approach for identification of Janus kinase 1 inhibitors through 3D-QSAR, docking and molecular dynamics simulations.

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Molecular modeling-driven approach for identification of Janus kinase 1 inhibitors through 3D-QSAR, docking and molecular dynamics simulations.

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2017 nî lūn-bûn

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2017年の論文

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2017年学术文章

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2017年学术文章

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2017年学术文章

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2017年学术文章

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2017年学术文章

@zh-my

2017年学术文章

@zh-sg

2017年學術文章

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2017年學術文章

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name

Molecular modeling-driven appr ...... olecular dynamics simulations.

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Molecular modeling-driven appr ...... olecular dynamics simulations.

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Item

label

Molecular modeling-driven appr ...... olecular dynamics simulations.

@en

Molecular modeling-driven appr ...... olecular dynamics simulations.

@nl

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Molecular modeling-driven appr ...... olecular dynamics simulations.

@en

Molecular modeling-driven appr ...... olecular dynamics simulations.

@nl

P1476

Molecular modeling-driven appr ...... olecular dynamics simulations.

@en

P2093

Ramesh Itteboina

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Sree Kanth Sivan

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Srilata Ballu

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Vijjulatha Manga

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P2860

Selectivity and therapeutic inhibition of kinases: to be or not to be?

Identification of C-2 hydroxyethyl imidazopyrrolopyridines as potent JAK1 inhibitors with favorable physicochemical properties and high selectivity over JAK2

Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2

Dissecting specificity in the Janus kinases: the structures of JAK-specific inhibitors complexed to the JAK1 and JAK2 protein tyrosine kinase domains

Identification of imidazo-pyrrolopyridines as novel and potent JAK1 inhibitors

Structure-based discovery of C-2 substituted imidazo-pyrrolopyridine JAK1 inhibitors with improved selectivity over JAK2

Novel triazolo-pyrrolopyridines as inhibitors of Janus kinase 1

Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges

Signaling through the JAK/STAT pathway, recent advances and future challenges

Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy

P304

453-469

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P31

scholarly article

P356

10.1080/10799893.2017.1328442

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P433

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

P478

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P577

2017-05-24T00:00:00Z

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P698

28537140

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