Relative binding affinity prediction of farnesoid X receptor in the D3R Grand Challenge 2 using FEP.

about

Relative binding affinity prediction of farnesoid X receptor in the D3R Grand Challenge 2 using FEP.

Item

http://www.wikidata.org/entity/Q47952018

description

2017 nî lūn-bûn

@nan

2017年の論文

@ja

2017年学术文章

@wuu

2017年学术文章

@zh

2017年学术文章

@zh-cn

2017年学术文章

@zh-hans

2017年学术文章

@zh-my

2017年学术文章

@zh-sg

2017年學術文章

@yue

2017年學術文章

@zh-hant

name

Relative binding affinity pred ...... R Grand Challenge 2 using FEP.

@en

Relative binding affinity pred ...... R Grand Challenge 2 using FEP.

@nl

type

Item

label

Relative binding affinity pred ...... R Grand Challenge 2 using FEP.

@en

Relative binding affinity pred ...... R Grand Challenge 2 using FEP.

@nl

prefLabel

Relative binding affinity pred ...... R Grand Challenge 2 using FEP.

@en

Relative binding affinity pred ...... R Grand Challenge 2 using FEP.

@nl

P1476

Relative binding affinity pred ...... R Grand Challenge 2 using FEP.

@en

P2093

Christina Schindler

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

Daniel Kuhn

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

Friedrich Rippmann

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

P2860

Dynamics of folded proteins

Farnesoid X receptor is essential for normal glucose homeostasis

A Python tool to set up relative free energy calculations in GROMACS.

Critical assessment of methods of protein structure prediction: Progress and new directions in round XI.

OpenMM 4: A Reusable, Extensible, Hardware Independent Library for High Performance Molecular Simulation

YASARA View - molecular graphics for all devices - from smartphones to workstations.

Accurate and reliable prediction of relative ligand binding potency in prospective drug discovery by way of a modern free-energy calculation protocol and force field.

How to deal with multiple binding poses in alchemical relative protein-ligand binding free energy calculations.

OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins.

D3R grand challenge 2015: Evaluation of protein-ligand pose and affinity predictions.

P2888

s10822-017-0064-z

P304

265-272

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

P31

scholarly article

P356

10.1007/S10822-017-0064-Z

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

P433

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

P478

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

P577

2017-09-12T00:00:00Z

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

P698

28900792

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