(Q74251240)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12051929%20AND%20SRC:MED&resulttype=core&format=json

9 November 2019

title

Role of conformational fluctuations in the enzymatic reaction of HIV-1 protease (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12051929%20AND%20SRC:MED&resulttype=core&format=json

9 November 2019

3

Michele Parrinello

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12051929%20AND%20SRC:MED&resulttype=core&format=json

9 November 2019

author name string

Stefano Piana

series ordinal

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12051929%20AND%20SRC:MED&resulttype=core&format=json

9 November 2019

Paolo Carloni

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12051929%20AND%20SRC:MED&resulttype=core&format=json

9 November 2019

publication date

1 May 2002

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12051929%20AND%20SRC:MED&resulttype=core&format=json

Journal of Molecular Biology

9 November 2019

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12051929%20AND%20SRC:MED&resulttype=core&format=json

9 November 2019

volume

319

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12051929%20AND%20SRC:MED&resulttype=core&format=json

9 November 2019

page(s)

567-583

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12051929%20AND%20SRC:MED&resulttype=core&format=json

9 November 2019

issue

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12051929%20AND%20SRC:MED&resulttype=core&format=json

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

9 November 2019

cites work

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Structure-based inhibitors of HIV-1 protease

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Human immunodeficiency virus protease expressed in Escherichia coli exhibits autoprocessing and specific maturation of the gag precursor

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Structure and Function of Retroviral Proteases

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Structural biology of HIV.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Electrostatic origin of the catalytic power of enzymes and the role of preorganized active sites.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

HIV protease: enzyme function and drug resistance

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Mutational anatomy of an HIV-1 protease variant conferring cross-resistance to protease inhibitors in clinical trials. Compensatory modulations of binding and activity

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Drug-resistant HIV-1 proteases identify enzyme residues important for substrate selection and catalytic rate

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Kinetic characterization of human immunodeficiency virus type-1 protease-resistant variants

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Increased fitness of drug resistant HIV-1 protease as a result of acquisition of compensatory mutations during suboptimal therapy

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 A resolution

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

The 80's loop (residues 78 to 85) is important for the differential activity of retroviral proteases.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Unified Approach for Molecular Dynamics and Density-Functional Theory

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

A comparative study of galactose oxidase and active site analogs based on QM/MM Car-Parrinello simulations.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Serine proteases: an ab initio molecular dynamics study

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Inhibition of human immunodeficiency virus 1 protease in vitro: rational design of substrate analogue inhibitors

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Characterization of two hydrophobic methyl clusters in HIV-1 protease by NMR spin relaxation in solution

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Binding of a reduced peptide inhibitor to the aspartic proteinase from Rhizopus chinensis: implications for a mechanism of action

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

The structure and function of the aspartic proteinases

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Domain communication in the dynamical structure of human immunodeficiency virus 1 protease

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

X-ray structure and conformational dynamics of the HIV-1 protease in complex with the inhibitor SDZ283-910: agreement of time-resolved spectroscopy and molecular dynamics simulations

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Flap opening in HIV-1 protease simulated by 'activated' molecular dynamics.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Molecular dynamics simulation of HIV-1 protease in a crystalline environment and in solution

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Molecular dynamics simulations of HIV-1 protease with peptide substrate.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Curling of flap tips in HIV-1 protease as a mechanism for substrate entry and tolerance of drug resistance

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Flexibility and function in HIV-1 protease

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Anisotropic rotational diffusion of perdeuterated HIV protease from 15N NMR relaxation measurements at two magnetic fields

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Essential dynamics of proteins

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Large-amplitude nonlinear motions in proteins

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Conformational flexibility of the catalytic Asp dyad in HIV-1 protease: An ab initio study on the free enzyme

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Substrate-dependent mechanisms in the catalysis of human immunodeficiency virus protease

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Human immunodeficiency virus-1 protease. 2. Use of pH rate studies and solvent kinetic isotope effects to elucidate details of chemical mechanism

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Human immunodeficiency virus-1 protease. 1. Initial velocity studies and kinetic characterization of reaction intermediates by 18O isotope exchange

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Crystallographic analysis of transition state mimics bound to penicillopepsin: difluorostatine- and difluorostatone-containing peptides

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Inhibition and catalytic mechanism of HIV-1 aspartic protease

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Direct observation by X‐ray analysis of the tetrahedral “intermediate” of aspartic proteinases

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Design, activity, and 2.8 A crystal structure of a C2 symmetric inhibitor complexed to HIV-1 protease

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Dynamics of proteins: elements and function

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Picosecond dynamics of tyrosine side chains in proteins

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

A perspective on biological catalysis

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

On the interpretation of data from isothermal processes

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

7 January 2021

The Protein Data Bank

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Mapping the active site of papain with the aid of peptide substrates and inhibitors

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Pathways to a protein folding intermediate observed in a 1-microsecond simulation in aqueous solution

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Molecular dynamics with coupling to an external bath

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

A combined quantum/classical molecular dynamics study of the catalytic mechanism of HIV protease

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Projection of Monte Carlo and molecular dynamics trajectories onto the normal mode axes: human lysozyme

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Density-functional exchange-energy approximation with correct asymptotic behavior

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Born-Oppenheimer molecular-dynamics simulations of finite systems: Structure and dynamics of (H2O)2

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Ab initio molecular dynamics-based assignment of the protonation state of pepstatin A/HIV-1 protease cleavage site

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Three-dimensional structures of HIV-1 and SIV protease product complexes

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Structure at 2.5-A resolution of chemically synthesized human immunodeficiency virus type 1 protease complexed with a hydroxyethylene-based inhibitor

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

Replicative fitness of protease inhibitor-resistant mutants of human immunodeficiency virus type 1.

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

inferred from DOI database lookup

7 January 2021

based on heuristic

A smooth particle mesh Ewald method

1 reference

https://api.crossref.org/works/10.1016%2FS0022-2836%2802%2900301-7

inferred from DOI database lookup

7 January 2021

based on heuristic

Identifiers

DOI

10.1016/S0022-2836(02)00301-7

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12051929%20AND%20SRC:MED&resulttype=core&format=json

9 November 2019

1 reference