(Q33563075)

28 July 2017

title

Computational study of the resistance shown by the subtype B/HIV-1 protease to currently known inhibitors (English)

1 reference

28 July 2017

Alessandro Genoni

1

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Giulia Morra

object named as

Giulia Morra

series ordinal

2

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Giorgio Colombo

object named as

Giorgio Colombo

series ordinal

4

0 references

author name string

Kenneth M Merz

series ordinal

3

1 reference

28 July 2017

language of work or name

English

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publication date

1 May 2010

1 reference

28 July 2017

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28 July 2017

volume

49

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28 July 2017

issue

19

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28 July 2017

page(s)

4283-4295

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Predicting interaction sites from the energetics of isolated proteins: a new approach to epitope mapping.

28 July 2017

cites work

1 reference

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14 July 2018

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Modeling signal propagation mechanisms and ligand-based conformational dynamics of the Hsp90 molecular chaperone full-length dimer

14 July 2018

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Methionine sulfoxides on prion protein Helix-3 switch on the alpha-fold destabilization required for conversion.

14 July 2018

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Signaling pathways of PDZ2 domain: a molecular dynamics interaction correlation analysis

14 July 2018

1 reference

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Solution structure of HIV-1 protease flaps probed by comparison of molecular dynamics simulation ensembles and EPR experiments

14 July 2018

1 reference

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Clinical phase 1 testing of the safety and immunogenicity of an epitope-based DNA vaccine in human immunodeficiency virus type 1-infected subjects receiving highly active antiretroviral therapy

14 July 2018

1 reference

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Design, synthesis, evaluation, and crystallographic-based structural studies of HIV-1 protease inhibitors with reduced response to the V82A mutation

14 July 2018

1 reference

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Intrinsic motions along an enzymatic reaction trajectory

14 July 2018

1 reference

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Signal propagation in proteins and relation to equilibrium fluctuations

14 July 2018

1 reference

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Structural characterization of B and non-B subtypes of HIV-protease: insights into the natural susceptibility to drug resistance development

14 July 2018

1 reference

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Hydrophobic sliding: a possible mechanism for drug resistance in human immunodeficiency virus type 1 protease

14 July 2018

1 reference

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Targeting structural flexibility in HIV-1 protease inhibitor binding

14 July 2018

1 reference

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Comparison of multiple Amber force fields and development of improved protein backbone parameters

14 July 2018

1 reference

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Diversity, drug resistance, and the epidemic of subtype C HIV-1 in Africa

14 July 2018

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14 July 2018

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Analysis of HIV-1 CRF_01 A/E protease inhibitor resistance: structural determinants for maintaining sensitivity and developing resistance to atazanavir

14 July 2018

1 reference

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Mechanism of substrate recognition by drug-resistant human immunodeficiency virus type 1 protease variants revealed by a novel structural intermediate

14 July 2018

1 reference

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Automatic atom type and bond type perception in molecular mechanical calculations

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2868114

The changing landscape of protein allostery

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2868114

HIV-1 protease flaps spontaneously open and reclose in molecular dynamics simulations

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2868114

"Wide-open" 1.3 A structure of a multidrug-resistant HIV-1 protease as a drug target

14 July 2018

1 reference

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Determinants of protein stability and folding: comparative analysis of beta-lactoglobulins and liver basic fatty acid binding protein

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2868114

Functional dynamics of PDZ binding domains: a normal-mode analysis

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2868114

Development and testing of a general amber force field

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2868114

HIV-1 protease molecular dynamics of a wild-type and of the V82F/I84V mutant: possible contributions to drug resistance and a potential new target site for drugs

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2868114

Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening

14 July 2018

1 reference

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Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy

14 July 2018

1 reference

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Ligand-dependent dynamics and intramolecular signaling in a PDZ domain

14 July 2018

1 reference

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Understanding the determinants of stability and folding of small globular proteins from their energetics

14 July 2018

1 reference

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Development of a DNA Vaccine Designed to Induce Cytotoxic T Lymphocyte Responses to Multiple Conserved Epitopes in HIV-1

14 July 2018

1 reference

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Myoglobin: the hydrogen atom of biology and a paradigm of complexity

14 July 2018

1 reference

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Anatomy and pathology of HIV-1 peptidase

14 July 2018

1 reference

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Drug resistance in HIV-1 protease: Flexibility-assisted mechanism of compensatory mutations

14 July 2018

1 reference

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

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2868114

Thermodynamic dissection of the binding energetics of KNI-272, a potent HIV-1 protease inhibitor

14 July 2018

1 reference

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Targeting the HIV-protease in AIDS therapy: a current clinical perspective

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2868114

Structural and biochemical studies of retroviral proteases

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2868114

Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2868114

Evolutionarily conserved pathways of energetic connectivity in protein families

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2868114

Counteracting HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with XV638 and SD146, cyclic urea amides with broad specificities

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2868114

HIV-1: fifteen proteins and an RNA

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2868114

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

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2868114

Molecular basis of resistance to HIV-1 protease inhibition: a plausible hypothesis.

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2868114

SWISS-MODEL and the Swiss-PdbViewer: an environment for comparative protein modeling

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2868114

Domain flexibility in retroviral proteases: structural implications for drug resistant mutations

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2868114

Viracept (nelfinavir mesylate, AG1343): a potent, orally bioavailable inhibitor of HIV-1 protease

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2868114

A controlled trial of two nucleoside analogues plus indinavir in persons with human immunodeficiency virus infection and CD4 cell counts of 200 per cubic millimeter or less. AIDS Clinical Trials Group 320 Study Team

14 July 2018

1 reference

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Antiretroviral therapy for HIV infection in 1997. Updated recommendations of the International AIDS Society-USA panel

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2868114

HIV-1 protease inhibitors. A review for clinicians

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2868114

Structural mechanisms of HIV drug resistance

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2868114

Ordered accumulation of mutations in HIV protease confers resistance to ritonavir

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2868114

Structure-based inhibitors of HIV-1 protease

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2868114

Essential dynamics of proteins

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2868114

L-735,524: the design of a potent and orally bioavailable HIV protease inhibitor

14 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2868114

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

14 July 2018

1 reference

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In vivo emergence of HIV-1 variants resistant to multiple protease inhibitors

14 July 2018

1 reference

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Active human immunodeficiency virus protease is required for viral infectivity

14 July 2018

1 reference

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Role of human immunodeficiency virus type 1-specific protease in core protein maturation and viral infectivity.

14 July 2018

1 reference

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Electrostatic interactions in macromolecules: theory and applications

14 July 2018

1 reference

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Rational design of peptide-based HIV proteinase inhibitors

14 July 2018

1 reference

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The Energy Landscapes and Motions of Proteins

14 July 2018

1 reference

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The HIV-1 protease as a therapeutic target for AIDS

14 July 2018

1 reference

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Langevin dynamics of peptides: the frictional dependence of isomerization rates of N-acetylalanyl-N'-methylamide

14 July 2018

1 reference

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Drug pressure selected mutations in HIV-1 protease alter flap conformations

14 July 2018

1 reference

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Dimer disruption and monomer sequestration by alkyl tripeptides are successful strategies for inhibiting wild-type and multidrug-resistant mutated HIV-1 proteases

31 October 2018

1 reference

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Mapping of two networks of residues that exhibit structural and dynamical changes upon binding in a PDZ domain protein

31 October 2018

1 reference

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Coupling between global dynamics and signal transduction pathways: a mechanism of allostery for chaperonin GroEL.

31 October 2018

1 reference

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Relationship between energy distribution and fold stability: Insights from molecular dynamics simulations of native and mutant proteins

31 October 2018

1 reference

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Safety and immunogenicity of cytotoxic T-lymphocyte poly-epitope, DNA plasmid (EP HIV-1090) vaccine in healthy, human immunodeficiency virus type 1 (HIV-1)-uninfected adults

31 October 2018

1 reference

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Fast peptidyl cis-trans isomerization within the flexible Gly-rich flaps of HIV-1 protease

31 October 2018

1 reference

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Intramolecular signaling pathways revealed by modeling anisotropic thermal diffusion

31 October 2018

1 reference

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Comparing the accumulation of active- and nonactive-site mutations in the HIV-1 protease

31 October 2018

1 reference

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Secondary mutations M36I and A71V in the human immunodeficiency virus type 1 protease can provide an advantage for the emergence of the primary mutation D30N.

31 October 2018

1 reference

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HIV-1 protease inhibitors: enthalpic versus entropic optimization of the binding affinity.

31 October 2018

1 reference

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Recognition of variant HIV-1 epitopes from diverse viral subtypes by vaccine-induced CTL

31 October 2018

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12 December 2020

Dynamics of ligand binding to myoglobin

1 reference

12 December 2020

The essential dynamics of thermolysin: Confirmation of the hinge-bending motion and comparison of simulations in vacuum and water

1 reference

12 December 2020

Thermodynamic Basis of Resistance to HIV-1 Protease Inhibition: Calorimetric Analysis of the V82F/I84V Active Site Resistant Mutant†

1 reference

12 December 2020

Identifiers

DOI

10.1021/BI100569U

1 reference

28 July 2017

1 reference

28 July 2017

1 reference