Estimation of relative free energies of binding using pre-computed ensembles based on the single-step free energy perturbation and the site-identification by Ligand competitive saturation approaches.

about

Estimation of relative free energies of binding using pre-computed ensembles based on the single-step free energy perturbation and the site-identification by Ligand competitive saturation approaches.

Item

http://www.wikidata.org/entity/Q39248995

description

2016 nî lūn-bûn

@nan

2016年の論文

@ja

2016年学术文章

@wuu

2016年学术文章

@zh-cn

2016年学术文章

@zh-hans

2016年学术文章

@zh-my

2016年学术文章

@zh-sg

2016年學術文章

@yue

2016年學術文章

@zh

2016年學術文章

@zh-hant

name

Estimation of relative free en ...... etitive saturation approaches.

@en

Estimation of relative free en ...... etitive saturation approaches.

@nl

type

Item

label

Estimation of relative free en ...... etitive saturation approaches.

@en

Estimation of relative free en ...... etitive saturation approaches.

@nl

prefLabel

Estimation of relative free en ...... etitive saturation approaches.

@en

Estimation of relative free en ...... etitive saturation approaches.

@nl

P1476

Estimation of relative free en ...... etitive saturation approaches.

@en

P2093

Alexander D MacKerell

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

E Prabhu Raman

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

Rajiah Aldrin Denny

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

Sirish Kaushik Lakkaraju

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

P2860

Canonical dynamics: Equilibrium phase-space distributions

The novel BH3 α-helix mimetic JY-1-106 induces apoptosis in a subset of cancer cells (lung cancer, colon cancer and mesothelioma) by disrupting Bcl-xL and Mcl-1 protein-protein interactions with Bak

Identification and optimization of N3,N6-diaryl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamines as a novel class of ACK1 inhibitors

CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields

Design, synthesis, and anti-inflammatory properties of orally active 4-(phenylamino)-pyrrolo[2,1-f][1,2,4]triazine p38alpha mitogen-activated protein kinase inhibitors

Biphenyl amide p38 kinase inhibitors 3: Improvement of cellular and in vivo activity

Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold

Part 1: Structure-Activity Relationship (SAR) investigations of fused pyrazoles as potent, selective and orally available inhibitors of p38alpha mitogen-activated protein kinase

Synthesis and optimization of substituted furo[2,3-d]-pyrimidin-4-amines and 7H-pyrrolo[2,3-d]pyrimidin-4-amines as ACK1 inhibitors

Computational fragment-based binding site identification by ligand competitive saturation

P304

1238-1251

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

P31

scholarly article

P356

10.1002/JCC.24522

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

P433

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

P478

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

P577

2016-10-26T00:00:00Z

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

P698

27782307

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

P932

5403604

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