(Q34093389)

31 July 2017

Application of a novel in silico high-throughput screen to identify selective inhibitors for protein-protein interactions (English)

1 reference

protein-protein interaction

31 July 2017

1 reference

1 reference

Peter O Fedichev

6

0 references

Mark R. Hutchinson

object named as

Mark R Hutchinson

4

0 references

Linda R. Watkins

5

object named as

Linda R Watkins

1 reference

31 July 2017

2

Joshua A Stahl

1 reference

31 July 2017

Catherine Joce

1

1 reference

31 July 2017

Mitesh Shridhar

3

1 reference

31 July 2017

Hang Yin

7

1 reference

31 July 2017

language of work or name

English

0 references

publication date

30 July 2010

1 reference

Bioorganic & Medicinal Chemistry Letters

31 July 2017

1 reference

31 July 2017

20

1 reference

31 July 2017

18

1 reference

31 July 2017

5411-5413

1 reference

Inhibition of protein-protein interactions using designed molecules

31 July 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2930491

Evidence that opioids may have toll-like receptor 4 and MD-2 effects

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2930491

The structural basis of lipopolysaccharide recognition by the TLR4-MD-2 complex

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2930491

Small-molecule inhibitors of protein-protein interactions

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2930491

Non-stereoselective reversal of neuropathic pain by naloxone and naltrexone: involvement of toll-like receptor 4 (TLR4)

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2930491

Ca2+ influx is an essential component of the positive-feedback loop that maintains leading-edge structure and activity in macrophages

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2930491

Structure and function of Toll receptors and their ligands

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2930491

Strategies for targeting protein-protein interactions with synthetic agents.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2930491

Comparative study of several algorithms for flexible ligand docking

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2930491

Small-molecule inhibitors of protein-protein interactions: progressing towards the dream

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2930491

Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2930491

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2930491

Novel dihydrofolate reductase inhibitors. Structure-based versus diversity-based library design and high-throughput synthesis and screening

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2930491

Ligand binding affinities from MD simulations.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2930491

Molecular dynamics and free energy analyses of cathepsin D-inhibitor interactions: insight into structure-based ligand design

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2930491

DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2930491

Detailed analysis of scoring functions for virtual screening

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2930491

Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2930491

The Toll receptor family and microbial recognition

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2930491

Physical contact between lipopolysaccharide and toll-like receptor 4 revealed by genetic complementation

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2930491

Polarization of chemoattractant receptor signaling during neutrophil chemotaxis

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2930491

MD-2, a molecule that confers lipopolysaccharide responsiveness on Toll-like receptor 4

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2930491

Development and validation of a genetic algorithm for flexible docking

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2930491

Automated docking of flexible ligands: applications of AutoDock

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2930491

TAK-242 selectively suppresses Toll-like receptor 4-signaling mediated by the intracellular domain

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2930491

Investigation of neuraminidase-substrate recognition using molecular dynamics and free energy calculations

28 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2930491

Phosphatidylinositol 3-kinase is involved in Toll-like receptor 4-mediated cytokine expression in mouse macrophages

28 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2930491

A fast flexible docking method using an incremental construction algorithm.

28 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2930491

Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation

28 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2930491

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

28 October 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/20709548

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

New scoring functions for virtual screening from molecular dynamics simulations with a quantum-refined force-field (QRFF-MD). Application to cyclin-dependent kinase 2

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/20709548

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1016/J.BMCL.2010.07.103

1 reference

31 July 2017

1 reference

31 July 2017

1 reference