(Q46558469)

23 December 2017

title

Molecular mechanics PBSA ligand binding energy and interaction of Efavirenz derivatives with HIV-1 reverse transcriptase (English)

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23 December 2017

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2

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23 December 2017

author name string

Philipp Weinzinger

series ordinal

1

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23 December 2017

Peter Wolschann

series ordinal

3

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23 December 2017

publication date

1 April 2005

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23 December 2017

Journal of Enzyme Inhibition and Medicinal Chemistry

published in

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23 December 2017

volume

20

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23 December 2017

issue

2

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23 December 2017

page(s)

129-134

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23 December 2017

L-743, 726 (DMP-266): a novel, highly potent nonnucleoside inhibitor of the human immunodeficiency virus type 1 reverse transcriptase

cites work

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https://api.crossref.org/works/10.1080%2F14756360400020520

Human immunodeficiency virus type 1 mutations selected in patients failing efavirenz combination therapy

21 January 2018

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https://api.crossref.org/works/10.1080%2F14756360400020520

Genotypic testing for human immunodeficiency virus type 1 drug resistance

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F14756360400020520

High resolution structures of HIV-1 RT from four RT-inhibitor complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F14756360400020520

Molecular dynamics of HIV-1 reverse transcriptase indicates increased flexibility upon DNA binding

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F14756360400020520

Temperature-dependent equilibrium between the open and closed conformation of the p66 subunit of HIV-1 reverse transcriptase revealed by site-directed spin labelling.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F14756360400020520

Structural basis for the resilience of efavirenz (DMP-266) to drug resistance mutations in HIV-1 reverse transcriptase

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F14756360400020520

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

21 January 2018

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https://api.crossref.org/works/10.1080%2F14756360400020520

A fast flexible docking method using an incremental construction algorithm.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F14756360400020520

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.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F14756360400020520

Molecular dynamics and free-energy calculations applied to affinity maturation in antibody 48G7.

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F14756360400020520

Analytical molecular surface calculation

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F14756360400020520

Electrostatics of nanosystems: application to microtubules and the ribosome

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F14756360400020520

The Lys103Asn mutation of HIV-1 RT: a novel mechanism of drug resistance

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F14756360400020520

Targeting delavirdine/atevirdine resistant HIV-1: identification of (alkylamino)piperidine-containing bis(heteroaryl)piperazines as broad spectrum HIV-1 reverse transcriptase inhibitors

21 January 2018

1 reference

https://api.crossref.org/works/10.1080%2F14756360400020520

10.1080/14756360400020520

21 January 2018

Identifiers

DOI

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23 December 2017

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23 December 2017