(Q51903747)

17 April 2018

title

Quantum study of HIV-1 protease-bridge water interaction. (English)

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5

John Z H Zhang

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author name string

Li L Duan

1

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Yan Tong

2

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Ye Mei

3

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Qing G Zhang

4

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language of work or name

English

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publication date

1 October 2007

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Journal of Chemical Physics

published in

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volume

127

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issue

14

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page(s)

145101

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CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

cites work

1 reference

Energy functions for peptides and proteins. I. Derivation of a consistent force field including the hydrogen bond from amide crystals

21 January 2018

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Direct calculation of electron density in density-functional theory

21 January 2018

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New Advance in Computational Chemistry: Full Quantum Mechanical ab Initio Computation of Streptavidin-Biotin Interaction Energy

21 January 2018

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Quantum mechanical map for protein-ligand binding with application to beta-trypsin/benzamidine complex

21 January 2018

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Fully quantum mechanical energy optimization for protein-ligand structure

21 January 2018

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Quantum computational analysis for drug resistance of HIV-1 reverse transcriptase to nevirapine through point mutations

21 January 2018

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A new algorithm for molecular fragmentation in quantum chemical calculations.

21 January 2018

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Active human immunodeficiency virus protease is required for viral infectivity

21 January 2018

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A synthetic HIV-1 protease inhibitor with antiviral activity arrests HIV-like particle maturation

21 January 2018

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Rational approach to AIDS drug design through structural biology

21 January 2018

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X-ray analysis of HIV-1 proteinase at 2.7 A resolution confirms structural homology among retroviral enzymes

21 January 2018

1 reference

Three-dimensional structure of aspartyl protease from human immunodeficiency virus HIV-1

21 January 2018

1 reference

Conserved folding in retroviral proteases: crystal structure of a synthetic HIV-1 protease

21 January 2018

1 reference

ABT-538 is a potent inhibitor of human immunodeficiency virus protease and has high oral bioavailability in humans

21 January 2018

1 reference

A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations

21 January 2018

1 reference

Molecular dynamics with coupling to an external bath

21 January 2018

1 reference

Crystal structure of a retroviral protease proves relationship to aspartic protease family

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.2770720

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