(Q52566240)

3 May 2018

title

In-silico screening using flexible ligand binding pockets: a molecular dynamics-based approach. (English)

1 reference

3 May 2018

1 reference

1 reference

Dakshanamurthy Sivanesan

1

1 reference

3 May 2018

Rajendram V Rajnarayanan

2

1 reference

3 May 2018

Jason Doherty

3

1 reference

3 May 2018

Nagarajan Pattabiraman

4

1 reference

3 May 2018

publication date

1 April 2005

1 reference

3 May 2018

Journal of Computer - Aided Molecular Design

published in

1 reference

3 May 2018

volume

19

1 reference

3 May 2018

page(s)

213-228

1 reference

3 May 2018

issue

4

1 reference

3 May 2018

https://scigraph.springernature.com/pub.10.1007/s10822-005-4788-9

exact match

0 references

cites work

Advances in the science of estrogen receptor modulation

1 reference

Crossref

https://api.crossref.org/works/10.1007%2FS10822-005-4788-9

Synthesis, receptor binding, molecular modeling, and proliferative assays of a series of 17alpha-arylestradiols

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1007%2FS10822-005-4788-9

New algorithm to model protein-protein recognition based on surface complementarity. Applications to antibody-antigen docking

21 January 2018

1 reference

12 December 2020

Simulation of the different biological activities of diethylstilbestrol (DES) on estrogen receptor alpha and estrogen-related receptor gamma

1 reference

12 December 2020

Prediction of ligand binding affinity and orientation of xenoestrogens to the estrogen receptor by molecular dynamics simulations and the linear interaction energy method.

1 reference

12 December 2020

The Protein Data Bank

1 reference

12 December 2020

Identification of a minimal subset of receptor conformations for improved multiple conformation docking and two-step scoring

1 reference

12 December 2020

Virtual screening using grid computing: the screensaver project.

1 reference

12 December 2020

Use of MM-PBSA in reproducing the binding free energies to HIV-1 RT of TIBO derivatives and predicting the binding mode to HIV-1 RT of efavirenz by docking and MM-PBSA.

1 reference

12 December 2020

Development and validation of a genetic algorithm for flexible docking

1 reference

12 December 2020

Identification by MALDI-TOF mass spectrometry of 17 alpha-bromoacetamidopropylestradiol covalent attachment sites on estrogen receptor alpha.

1 reference

12 December 2020

Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features

1 reference

12 December 2020

Differential interactions of estrogens and antiestrogens at the 17 beta-hydroxy or counterpart function with the estrogen receptor

1 reference

12 December 2020

A geometric approach to macromolecule-ligand interactions

1 reference

12 December 2020

The estrogen receptor relative binding affinities of 188 natural and xenochemicals: structural diversity of ligands.

1 reference

12 December 2020

The structural basis of estrogen receptor/coactivator recognition and the antagonism of this interaction by tamoxifen

1 reference

12 December 2020

Protein docking for low-resolution structures.

1 reference

12 December 2020

Free energies of binding of polychlorinated biphenyls to the estrogen receptor from a single simulation

1 reference

12 December 2020

Protein-based virtual screening of chemical databases. 1. Evaluation of different docking/scoring combinations.

1 reference

12 December 2020

Efficacy and selectivity in flexible database docking.

1 reference

12 December 2020

The estradiol pharmacophore: ligand structure-estrogen receptor binding affinity relationships and a model for the receptor binding site

1 reference

12 December 2020

Differential interactions of estrogens and antiestrogens at the 17 beta-hydroxyl or counterpart hydroxyl with histidine 524 of the human estrogen receptor alpha

1 reference

12 December 2020

Asparagine and glutamine rotamers: B-factor cutoff and correction of amide flips yield distinct clustering

1 reference

12 December 2020

Application of a Theory of Enzyme Specificity to Protein Synthesis

1 reference

12 December 2020

The interpretation of protein structures: Estimation of static accessibility

1 reference

12 December 2020

An automated computer vision and robotics-based technique for 3-D flexible biomolecular docking and matching.

1 reference

12 December 2020

Simulations of the Estrogen Receptor Ligand-Binding Domain: Affinity of Natural Ligands and Xenoestrogens

1 reference

12 December 2020

A novel pesticide-induced conformational state of the oestrogen receptor ligand-binding domain, detected by conformation-specific peptide binding

1 reference

12 December 2020

Detailed analysis of scoring functions for virtual screening

1 reference

12 December 2020

"Soft docking": matching of molecular surface cubes

1 reference

12 December 2020

Structural characterization of a subtype-selective ligand reveals a novel mode of estrogen receptor antagonism

1 reference

12 December 2020

Molecular docking towards drug discovery

1 reference

12 December 2020

10.1007/S10822-005-4788-9

Identifiers

DOI

1 reference

3 May 2018

journals/jcamd/SivanesanRDP05

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

3 May 2018