(Q37352130)

19 August 2017

The HSP90 binding mode of a radicicol-like E-oxime determined by docking, binding free energy estimations, and NMR 15N chemical shifts (English)

1 reference

19 August 2017

7

Martin Karplus

1 reference

19 August 2017

Franz Hagn

3

0 references

Nicolas Winssinger

object named as

Nicolas Winssinger

6

0 references

author name string

Martin Spichty

1

1 reference

19 August 2017

Antoine Taly

2

1 reference

19 August 2017

Horst Kessler

4

1 reference

19 August 2017

Sofia Barluenga

5

1 reference

19 August 2017

15 April 2009

1 reference

19 August 2017

Biophysical Chemistry

1 reference

19 August 2017

143

1 reference

19 August 2017

3

1 reference

19 August 2017

111-123

1 reference

All-atom empirical potential for molecular modeling and dynamics studies of proteins

19 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746315

Parallel tempering: theory, applications, and new perspectives

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746315

Inside the Hsp90 inhibitors binding mode through induced fit docking.

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746315

Target flexibility: an emerging consideration in drug discovery and design

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746315

The Hsp90 inhibitor radicicol interacts with the ATP-binding pocket of bacterial sensor kinase PhoQ

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746315

Divergent synthesis of a pochonin library targeting HSP90 and in vivo efficacy of an identified inhibitor

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746315

A semiempirical free energy force field with charge-based desolvation

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746315

Ensemble docking of multiple protein structures: considering protein structural variations in molecular docking.

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746315

Binding diversity of the two binding sites of ricin B lectin

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746315

Binding affinity prediction with different force fields: examination of the linear interaction energy method

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746315

The Clinical Applications of Heat Shock Protein Inhibitors in Cancer - Present and Future

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746315

Structure and functional relationships of Hsp90.

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746315

Heat shock protein 90 as a molecular target for cancer therapeutics

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746315

Binding free energy calculations of galectin-3-ligand interactions

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746315

Structural basis for inhibition of the Hsp90 molecular chaperone by the antitumor antibiotics radicicol and geldanamycin

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746315

Two chaperone sites in Hsp90 differing in substrate specificity and ATP dependence

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746315

1H, 13C and 15N chemical shift referencing in biomolecular NMR

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746315

Application of the three-dimensional structures of protein target molecules in structure-based drug design

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746315

Predicting binding modes from free energy calculations

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746315

Ranking ligand binding affinities with avidin: a molecular dynamics-based interaction energy study

26 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746315

Design, synthesis, and biological evaluation of HSP90 inhibitors based on conformational analysis of radicicol and its analogues

26 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746315

Molecular chaperones and the stress of oncogenesis

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746315

NMR chemical shift perturbation study of the N-terminal domain of Hsp90 upon binding of ADP, AMP-PNP, geldanamycin, and radicicol

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746315

What determines the van der Waals coefficient beta in the LIE (linear interaction energy) method to estimate binding free energies using molecular dynamics simulations?

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746315

Automated backbone assignment of labeled proteins using the threshold accepting algorithm

2 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2746315

Binding affinities for sulfonamide inhibitors with human thrombin using Monte Carlo simulations with a linear response method

2 September 2018

1 reference

12 December 2020

A new method for predicting binding affinity in computer-aided drug design

1 reference

12 December 2020

Relationship among ligand conformations in solution, in the solid state, and at the Hsp90 binding site: geldanamycin and radicicol

1 reference

12 December 2020

Combining docking, molecular dynamics and the linear interaction energy method to predict binding modes and affinities for non-nucleoside inhibitors to HIV-1 reverse transcriptase

1 reference

12 December 2020

Binding free energy calculations for P450cam-substrate complexes

1 reference

12 December 2020

Backbone resonance assignments of the 25kD N-terminal ATPase domain from the Hsp90 chaperone

1 reference

12 December 2020

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1016/J.BPC.2009.04.003

Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1016/J.BPC.2009.04.003

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1016/J.BPC.2009.04.003

Heteronuclear multidimensional NMR experiments for the structure determination of proteins in solution employing pulsed field gradients

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1016/J.BPC.2009.04.003

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1016/J.BPC.2009.04.003

Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1016/J.BPC.2009.04.003

Identifiers

DOI

10.1016/J.BPC.2009.04.003

1 reference

19 August 2017

1 reference

19 August 2017

PubMed publication ID

19482409

1 reference