(Q33590499)

28 July 2017

title

Grid-based molecular footprint comparison method for docking and de novo design: application to HIVgp41 (English)

1 reference

28 July 2017

0 references

Trent E Balius

1

0 references

author name string

William J Allen

series ordinal

2

1 reference

28 July 2017

Sudipto Mukherjee

series ordinal

3

1 reference

28 July 2017

Robert C Rizzo

series ordinal

4

1 reference

28 July 2017

publication date

22 February 2013

1 reference

Journal of Computational Chemistry

28 July 2017

published in

1 reference

28 July 2017

volume

34

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28 July 2017

issue

14

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28 July 2017

page(s)

1226-1240

1 reference

Targeting fatty acid binding protein (FABP) anandamide transporters - a novel strategy for development of anti-inflammatory and anti-nociceptive drugs

28 July 2017

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1 reference

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28 July 2018

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Designing the molecular future

28 July 2018

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28 July 2018

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28 July 2018

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28 July 2018

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Conserved salt bridge between the N- and C-terminal heptad repeat regions of the human immunodeficiency virus type 1 gp41 core structure is critical for virus entry and inhibition

28 July 2018

1 reference

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From docking false-positive to active anti-HIV agent

28 July 2018

1 reference

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28 July 2018

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

28 July 2018

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28 July 2018

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28 July 2018

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28 July 2018

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28 July 2018

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28 July 2018

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28 July 2018

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28 July 2018

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Evidence that a prominent cavity in the coiled coil of HIV type 1 gp41 is an attractive drug target

28 July 2018

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A geometric approach to macromolecule-ligand interactions

28 July 2018

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A computational procedure for determining energetically favorable binding sites on biologically important macromolecules

28 July 2018

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The refined structure of the epsilon-aminocaproic acid complex of human plasminogen kringle 4.

28 July 2018

1 reference

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The computer program LUDI: a new method for the de novo design of enzyme inhibitors

28 July 2018

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Structure-based strategies for drug design and discovery

28 July 2018

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28 July 2018

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Core structure of gp41 from the HIV envelope glycoprotein

21 January 2018

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Footprint-based identification of viral entry inhibitors targeting HIVgp41.

21 January 2018

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Automated docking with grid-based energy evaluation

21 January 2018

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Mechanisms of viral membrane fusion and its inhibition

21 January 2018

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The Hungarian method for the assignment problem

21 January 2018

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21 January 2018

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Structure of the epidermal growth factor receptor kinase domain alone and in complex with a 4-anilinoquinazoline inhibitor

21 January 2018

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21 January 2018

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PubMed

https://pubmed.ncbi.nlm.nih.gov/23436713

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Computer-aided design of non-nucleoside inhibitors of HIV-1 reverse transcriptase

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/23436713

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1002/JCC.23245

1 reference

28 July 2017

DBLP publication ID

journals/jcc/BaliusAMR13

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

28 July 2017

1 reference