Computational analysis of aspartic protease plasmepsin II complexed with EH58 inhibitor: a QM/MM MD study (Q47970644)

7 February 2018

title

Computational analysis of aspartic protease plasmepsin II complexed with EH58 inhibitor: a QM/MM MD study (English)

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7 February 2018

Cláudio Nahum Alves

3

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Jerônimo Lameira

series ordinal

2

object named as

Jerônimo Lameira

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7 February 2018

author name string

Natália de Farias Silva

series ordinal

1

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7 February 2018

publication date

25 January 2011

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7 February 2018

Journal of Molecular Modeling

published in

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7 February 2018

volume

17

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7 February 2018

issue

10

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7 February 2018

page(s)

2631-2638

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7 February 2018

Malaria chemotherapeutics part I: History of antimalarial drug development, currently used therapeutics, and drugs in clinical development

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12 December 2020

Quantum mechanical/molecular mechanical molecular dynamics simulation of wild-type and seven mutants of CpNagJ in complex with PUGNAc.

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12 December 2020

Screening Aspartyl Proteases with Combinatorial Libraries

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Analysis of structural water and CH···π interactions in HIV-1 protease and PTP1B complexes using a hydrogen bond prediction tool, HBPredicT

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12 December 2020

Calculation of binding energy using BLYP/MM for the HIV-1 integrase complexed with the S-1360 and two analogues

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12 December 2020

Structural analysis of plasmepsin II. A comparison with human aspartic proteases

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12 December 2020

The protonation state of the catalytic aspartates in plasmepsin II

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12 December 2020

A quantum mechanics/molecular mechanics study of the protein-ligand interaction for inhibitors of HIV-1 integrase

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12 December 2020

10.1007/S00894-011-0963-1

Identifiers

DOI

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7 February 2018

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7 February 2018