Computational study of protein specificity: the molecular basis of HIV-1 protease drug resistance (Q33952774)

30 July 2017

title

Computational study of protein specificity: the molecular basis of HIV-1 protease drug resistance (English)

1 reference

30 July 2017

main subject

computational biology

1 reference

W Wang

1

1 reference

30 July 2017

P A Kollman

series ordinal

2

1 reference

30 July 2017

language of work or name

English

0 references

publication date

1 December 2001

1 reference

Proceedings of the National Academy of Sciences of the United States of America

30 July 2017

published in

1 reference

30 July 2017

volume

98

1 reference

30 July 2017

issue

26

1 reference

30 July 2017

page(s)

14937-14942

1 reference

An analysis of the interactions between the Sem-5 SH3 domain and its ligands using molecular dynamics, free energy calculations, and sequence analysis.

30 July 2017

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=64962

Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=64962

Binding of a diverse set of ligands to avidin and streptavidin: an accurate quantitative prediction of their relative affinities by a combination of molecular mechanics and continuum solvent models

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=64962

How does a symmetric dimer recognize an asymmetric substrate? A substrate complex of HIV-1 protease

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=64962

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=64962

Inhibitors of HIV-1 protease: a major success of structure-assisted drug design

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=64962

Kinetic properties of saquinavir-resistant mutants of human immunodeficiency virus type 1 protease and their implications in drug resistance in vivo

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=64962

Gapped BLAST and PSI-BLAST: a new generation of protein database search programs

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=64962

Human immunodeficiency virus. Mutations in the viral protease that confer resistance to saquinavir increase the dissociation rate constant of the protease-saquinavir complex

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=64962

Reduced surface: an efficient way to compute molecular surfaces

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=64962

Engineering human immunodeficiency virus 1 protease heterodimers as macromolecular inhibitors of viral maturation

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=64962

Structural mechanisms of HIV drug resistance

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=64962

Structure-based inhibitors of HIV-1 protease

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=64962

Characterization of human immunodeficiency virus type 1 mutants with decreased sensitivity to proteinase inhibitor Ro 31-8959.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=64962

In vitro selection and characterization of human immunodeficiency virus type 1 (HIV-1) isolates with reduced sensitivity to hydroxyethylamino sulfonamide inhibitors of HIV-1 aspartyl protease

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=64962

Kinetic characterization and cross-resistance patterns of HIV-1 protease mutants selected under drug pressure

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=64962

X-ray crystallographic structure of a complex between a synthetic protease of human immunodeficiency virus 1 and a substrate-based hydroxyethylamine inhibitor

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=64962

Inhibition of HIV protease activity by heterodimer formation

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=64962

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

5 July 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.251265598

Comparison of simple potential functions for simulating liquid water

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.251265598

Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.251265598

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.251265598

Free energy calculations on dimer stability of the HIV protease using molecular dynamics and a continuum solvent model

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.251265598

Resistance to HIV protease inhibitors: a comparison of enzyme inhibition and antiviral potency

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=64962

Non-functional conserved residues in globins and their possible role as a folding nucleus

29 October 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/11752442

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

The not-so-great escape

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/11752442

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Protein folding and protein evolution: common folding nucleus in different subfamilies of c-type cytochromes?

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/11752442

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1073/PNAS.251265598

1 reference

30 July 2017

0 references

1 reference

30 July 2017

1 reference