DOCK 6: combining techniques to model RNA-small molecule complexes (Q24657524)

1

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Scott R Brozell

2

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Sudipto Mukherjee

3

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Eric F Pettersen

4

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Elaine C Meng

5

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Veena Thomas

6

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Robert C Rizzo

7

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David A Case

8

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Thomas L James

9

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Irwin D Kuntz

10

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language of work or name

English

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publication date

June 2009

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published in

RNA

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volume

15

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issue

6

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page(s)

1219-30

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cites work

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Discovery of ligands for a novel target, the human telomerase RNA, based on flexible-target virtual screening and NMR.

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Docking to RNA via root-mean-square-deviation-driven energy minimization with flexible ligands and flexible targets

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Development and validation of a modular, extensible docking program: DOCK 5.

28 September 2017

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Synthesis and testing of a focused phenothiazine library for binding to HIV-1 TAR RNA.

28 September 2017

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Evaluation of mismatch-binding ligands as inhibitors for Rev-RRE interaction

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The ribosomal peptidyl transferase center: structure, function, evolution, inhibition

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Riboswitches as versatile gene control elements

28 September 2017

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Discovery of ligands by a combination of computational and NMR-based screening: RNA as an example target

28 September 2017

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Validation of an empirical RNA-ligand scoring function for fast flexible docking using Ribodock

28 September 2017

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Structure-based computational database screening, in vitro assay, and NMR assessment of compounds that target TAR RNA.

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Drug-like properties and the causes of poor solubility and poor permeability

28 September 2017

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Identification of ligands for RNA targets via structure-based virtual screening: HIV-1 TAR.

28 September 2017

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Molecular docking to ensembles of protein structures

30 May 2018

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Design, synthesis and bioactivities of TAR RNA targeting beta-carboline derivatives based on Tat-TAR interaction

30 May 2018

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New inhibitors of the Tat-TAR RNA interaction found with a "fuzzy" pharmacophore model

28 November 2018

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Design, synthesis and ribosome binding of chloramphenicol nucleotide and intercalator conjugates.

28 November 2018

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Validation of automated docking programs for docking and database screening against RNA drug targets

28 November 2018

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Implicit solvation based on generalized Born theory in different dielectric environments

28 November 2018

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Estimation of Absolute Free Energies of Hydration Using Continuum Methods: Accuracy of Partial Charge Models and Optimization of Nonpolar Contributions

28 November 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/19369428

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1261/RNA.1563609

1 reference

1 reference

1 reference

PubMed publication ID

19369428

1 reference