(Q43122434)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20306284%20AND%20SRC:MED&resulttype=core&format=json

28 January 2020

title

A computational workflow for the design of irreversible inhibitors of protein kinases (English)

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28 January 2020

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computational biology

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1

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28 January 2020

Giulio Rastelli

9

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28 January 2020

Pierfranco Conte

7

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28 January 2020

Mauro Freccero

8

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28 January 2020

Gianluca Degliesposti

4

object named as

Gianluca Degliesposti

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28 January 2020

author name string

Miriam Sgobba

2

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28 January 2020

Marco Daniele Parenti

3

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28 January 2020

Rosetta Forestiero

5

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28 January 2020

Claudia Percivalle

6

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28 January 2020

publication date

21 March 2010

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20306284%20AND%20SRC:MED&resulttype=core&format=json

Journal of Computer - Aided Molecular Design

28 January 2020

published in

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28 January 2020

volume

24

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28 January 2020

issue

3

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28 January 2020

page(s)

183-194

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20306284%20AND%20SRC:MED&resulttype=core&format=json

The protein kinase complement of the human genome

28 January 2020

cites work

1 reference

https://api.crossref.org/works/10.1007%2FS10822-010-9324-X

Are MAP kinases drug targets? Yes, but difficult ones

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-010-9324-X

Discovery of selective irreversible inhibitors for Bruton's tyrosine kinase

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-010-9324-X

Structural bioinformatics-based design of selective, irreversible kinase inhibitors

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-010-9324-X

Covalent modifiers: an orthogonal approach to drug design

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-010-9324-X

Jalview Version 2--a multiple sequence alignment editor and analysis workbench

21 January 2018

1 reference

12 December 2020

Validation and use of the MM-PBSA approach for drug discovery

1 reference

12 December 2020

Development and testing of a general amber force field

1 reference

12 December 2020

Rapid and accurate prediction of binding free energies for saquinavir-bound HIV-1 proteases.

1 reference

12 December 2020

Fast and accurate predictions of binding free energies using MM-PBSA and MM-GBSA.

1 reference

12 December 2020

Tyrosine kinases as targets for cancer therapy

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12 December 2020

Rapid estimation of relative protein-ligand binding affinities using a high-throughput version of MM-PBSA.

1 reference

12 December 2020

Identification of a key element for hydrogen-bonding patterns between protein kinases and their inhibitors

1 reference

12 December 2020

Binding estimation after refinement, a new automated procedure for the refinement and rescoring of docked ligands in virtual screening.

1 reference

12 December 2020

UCSF Chimera--a visualization system for exploratory research and analysis

1 reference

12 December 2020

Kinase domain mutations in cancer: implications for small molecule drug design strategies.

1 reference

12 December 2020

Structure-guided development of affinity probes for tyrosine kinases using chemical genetics

1 reference

12 December 2020

Role of a cysteine residue in the active site of ERK and the MAPKK family

1 reference

12 December 2020

The Amber biomolecular simulation programs

1 reference

12 December 2020

Targeting cancer with small molecule kinase inhibitors

1 reference

12 December 2020

Accurate prediction of the relative potencies of members of a series of kinase inhibitors using molecular docking and MM-GBSA scoring

1 reference

12 December 2020

Validation of an automated procedure for the prediction of relative free energies of binding on a set of aldose reductase inhibitors

1 reference

12 December 2020

Molecular modeling and crystal structure of ERK2-hypothemycin complexes

1 reference

12 December 2020

Identification of a selective ERK inhibitor and structural determination of the inhibitor-ERK2 complex

1 reference

12 December 2020

Crystal structure of human ERK2 complexed with a pyrazolo[3,4-c]pyridazine derivative

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12 December 2020

Targeted covalent inactivation of protein kinases by resorcylic acid lactone polyketides.

1 reference

12 December 2020

PF00299804, an irreversible pan-ERBB inhibitor, is effective in lung cancer models with EGFR and ERBB2 mutations that are resistant to gefitinib

1 reference

12 December 2020

Activity prediction and structural insights of extracellular signal-regulated kinase 2 inhibitors with molecular dynamics simulations.

1 reference

12 December 2020

Irreversible inhibitors of the EGF receptor may circumvent acquired resistance to gefitinib

1 reference

12 December 2020

Mechanistic basis of enzyme-targeted drugs

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12 December 2020

Features of selective kinase inhibitors

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12 December 2020

Molecular recognition of protein kinase binding pockets for design of potent and selective kinase inhibitors

1 reference

12 December 2020

Dual irreversible kinase inhibitors: quinazoline-based inhibitors incorporating two independent reactive centers with each targeting different cysteine residues in the kinase domains of EGFR and VEGFR-2

1 reference

12 December 2020

10.1007/S10822-010-9324-X

Identifiers

DOI

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20306284%20AND%20SRC:MED&resulttype=core&format=json

journals/jcamd/RioSPDFPCFR10

28 January 2020

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1022223352

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