Identification of ligands for RNA targets via structure-based virtual screening: HIV-1 TAR. (Q41751942)

8 October 2017

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

1 reference

8 October 2017

1 reference

Filikov AV

1

1 reference

8 October 2017

Mohan V

2

1 reference

8 October 2017

Vickers TA

3

1 reference

8 October 2017

Griffey RH

4

1 reference

8 October 2017

Cook PD

5

1 reference

8 October 2017

Abagyan RA

6

1 reference

8 October 2017

James TL

7

1 reference

8 October 2017

1 August 2000

1 reference

8 October 2017

18

1 reference

Journal of Computer - Aided Molecular Design

inferred from page(s)

published in

1 reference

8 October 2017

14

1 reference

8 October 2017

6

1 reference

8 October 2017

593-610

1 reference

https://scigraph.springernature.com/pub.10.1023/a:1008121029716

8 October 2017

0 references

cites work

Flexible ligand docking using a genetic algorithm.

1 reference

12 December 2020

Structure-based design of ligands for protein basic domains: application to the HIV-1 Tat protein

1 reference

12 December 2020

Monte Carlo minimization with thermalization for global optimization of polypeptide conformations in cartesian coordinate space

1 reference

12 December 2020

Structure of HIV-1 TAR RNA in the absence of ligands reveals a novel conformation of the trinucleotide bulge

1 reference

12 December 2020

Empirical scale of side-chain conformational entropy in protein folding

1 reference

12 December 2020

Hammerhead: fast, fully automated docking of flexible ligands to protein binding sites.

1 reference

12 December 2020

Spectroscopic recognition of guanine dimeric hairpin quadruplexes by a carbocyanine dye.

1 reference

12 December 2020

The Protein Data Bank

1 reference

12 December 2020

Present status and future prospects for HIV therapies

1 reference

12 December 2020

Distance-constrained molecular docking by simulated annealing.

1 reference

12 December 2020

RNA binding by the tat and rev proteins of HIV-1

1 reference

12 December 2020

HIV-1 Tat protein promotes formation of more-processive elongation complexes

1 reference

12 December 2020

Effect of Conformational Flexibility and Solvation on Receptor-Ligand Binding Free Energies

1 reference

12 December 2020

Atomic solvation parameters applied to molecular dynamics of proteins in solution

1 reference

12 December 2020

Molecular recognition in the FMN-RNA aptamer complex

1 reference

12 December 2020

A genetic algorithm for flexible molecular overlay and pharmacophore elucidation.

1 reference

12 December 2020

Computational method for the design of enzymes with altered substrate specificity

1 reference

12 December 2020

The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure

1 reference

12 December 2020

Structural energetics of peptide recognition: Angiotensin II/antibody binding

1 reference

12 December 2020

Fragments of the HIV-1 Tat protein specifically bind TAR RNA.

1 reference

12 December 2020

Inhibition of human immunodeficiency virus type 1 Tat activity by coexpression of heterologous trans activators

1 reference

12 December 2020

Mutational analysis of the conserved basic domain of human immunodeficiency virus tat protein

1 reference

12 December 2020

Flexible docking and design.

1 reference

12 December 2020

RNA molecules that specifically and stoichiometrically bind aminoglycoside antibiotics with high affinities

1 reference

12 December 2020

Conformation of the TAR RNA-Arginine Complex by NMR Spectroscopy

1 reference

12 December 2020

Inhibition of HIV replication in acute and chronic infections in vitro by a Tat antagonist

1 reference

12 December 2020

The structure of the human immunodeficiency virus type-1 TAR RNA reveals principles of RNA recognition by Tat protein

1 reference

12 December 2020

Using shape complementarity as an initial screen in designing ligands for a receptor binding site of known three-dimensional structure.

1 reference

12 December 2020

Saccharide-RNA recognition in an aminoglycoside antibiotic-RNA aptamer complex

1 reference

12 December 2020

Solution structure of a bovine immunodeficiency virus Tat-TAR peptide-RNA complex

1 reference

12 December 2020

Flexible protein-ligand docking by global energy optimization in internal coordinates.

1 reference

12 December 2020

The human immunodeficiency virus type 1 Tat antagonist, Ro 5-3335, predominantly inhibits transcription initiation from the viral promoter

1 reference

12 December 2020

Molecular recognition in the bovine immunodeficiency virus Tat peptide-TAR RNA complex

1 reference

12 December 2020

Pseudo--half-knot formation with RNA

1 reference

12 December 2020

On the attribution of binding energy in antigen-antibody complexes McPC 603, D1.3, and HyHEL-5.

1 reference

12 December 2020

De novo design of enzyme inhibitors by Monte Carlo ligand generation

1 reference

12 December 2020

Discovery of selective, small-molecule inhibitors of RNA complexes--I. The Tat protein/TAR RNA complexes required for HIV-1 transcription

1 reference

12 December 2020

Conserved nucleotides in the TAR RNA stem of human immunodeficiency virus type 1 are critical for Tat binding and trans activation: model for TAR RNA tertiary structure

1 reference

12 December 2020

Arginine-mediated RNA recognition: the arginine fork.

1 reference

12 December 2020

Specific binding of arginine to TAR RNA

1 reference

12 December 2020

Optimal protocol and trajectory visualization for conformational searches of peptides and proteins

1 reference

12 December 2020

An inhibitor of the Tat/TAR RNA interaction that effectively suppresses HIV-1 replication

1 reference

12 December 2020

A preference-based free-energy parameterization of enzyme-inhibitor binding. Applications to HIV-1-protease inhibitor design

1 reference

12 December 2020

Analysis of trans-acting response decoy RNA-mediated inhibition of human immunodeficiency virus type 1 transactivation

1 reference

12 December 2020

Structural basis of ligand discrimination by two related RNA aptamers resolved by NMR spectroscopy

1 reference

12 December 2020

Circular dichroism and molecular modeling yield a structure for the complex of human immunodeficiency virus type 1 trans-activation response RNA and the binding region of Tat, the trans-acting transcriptional activator

1 reference

12 December 2020

The dead-end elimination theorem and its use in protein side-chain positioning

1 reference

12 December 2020

Anti-termination of transcription within the long terminal repeat of HIV-1 by tat gene product

1 reference

12 December 2020

Role of RNA structure in arginine recognition of TAR RNA.

1 reference

12 December 2020

An RNA motif that binds ATP.

1 reference

12 December 2020

HIV-1 tat protein stimulates transcription by binding to a U-rich bulge in the stem of the TAR RNA structure

1 reference

12 December 2020

Automated docking of substrates to proteins by simulated annealing

1 reference

12 December 2020

Solution structure of an ATP-binding RNA aptamer reveals a novel fold.

1 reference

12 December 2020

A fast flexible docking method using an incremental construction algorithm.

1 reference

12 December 2020

Aqueous solution structure of a hybrid lentiviral Tat peptide and a model of its interaction with HIV-1 TAR RNA.

1 reference

12 December 2020

Structure-based drug design: progress, results and challenges

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

Structure-based discovery of ligands targeted to the RNA double helix.

1 reference

12 December 2020

Rational automatic search method for stable docking models of protein and ligand.

1 reference

12 December 2020

A multiple-start Monte Carlo docking method.

1 reference

12 December 2020

Dating hominid sites in Indonesia

1 reference

12 December 2020

Modeling of nucleic acid complexes with cationic ligands: a specialized molecular mechanics force field and its application.

1 reference

12 December 2020

Molecular dynamics simulation of the docking of substrates to proteins.

1 reference

12 December 2020

Keto/enol epoxy steroids: a new structural class of HIV-1 Tat inhibitors

1 reference

12 December 2020

Calculation of the free energy of association for protein complexes

1 reference

12 December 2020

Prediction of binding constants of protein ligands: a fast method for the prioritization of hits obtained from de novo design or 3D database search programs

1 reference

12 December 2020

Identifiers

DOI

10.1023/A:1008121029716

1 reference

journals/jcamd/FilikovMVGCAJ00

8 October 2017

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

0 references

1 reference