(Q41968137)

14 October 2017

Prediction of HIV-1 protease/inhibitor affinity using RosettaLigand (English)

1 reference

14 October 2017

3

1 reference

14 October 2017

Gordon Lemmon

1

0 references

author name string

Kristian Kaufmann

series ordinal

2

1 reference

14 October 2017

19 March 2012

1 reference

Chemical Biology and Drug Design

14 October 2017

1 reference

14 October 2017

79

1 reference

14 October 2017

6

1 reference

14 October 2017

888-896

1 reference

Protein conformational dynamics in the mechanism of HIV-1 protease catalysis

14 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3342459

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

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3342459

Novel method for probing the specificity binding profile of ligands: applications to HIV protease

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3342459

Dynamic personalities of proteins

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3342459

HIV-1 protease: structure, dynamics, and inhibition

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3342459

Protein-ligand docking: current status and future challenges

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3342459

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

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3342459

Toward high-resolution de novo structure prediction for small proteins.

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3342459

HIV-1 Protease and reverse-transcriptase mutations: correlations with antiretroviral therapy in subtype B isolates and implications for drug-resistance surveillance

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3342459

Progress and challenges in high-resolution refinement of protein structure models.

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3342459

Announcing the worldwide Protein Data Bank

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3342459

Improved prediction of HIV-1 protease-inhibitor binding energies by molecular dynamics simulations

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3342459

A simple physical model for binding energy hot spots in protein-protein complexes

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3342459

Effective energy function for proteins in solution

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3342459

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

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3342459

Bayesian statistical analysis of protein side-chain rotamer preferences

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3342459

Backbone-dependent rotamer library for proteins. Application to side-chain prediction

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3342459

Structure-based inhibitors of HIV-1 protease

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3342459

Monte Carlo-minimization approach to the multiple-minima problem in protein folding

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3342459

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

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3342459

Complete nucleotide sequence of the AIDS virus, HTLV-III

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3342459

Comparative assessment of scoring functions on a diverse test set.

5 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3342459

ROSETTALIGAND: protein-small molecule docking with full side-chain flexibility.

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3342459

Change in protein flexibility upon complex formation: analysis of Ras-Raf using molecular dynamics and a molecular framework approach.

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3342459

An orientation-dependent hydrogen bonding potential improves prediction of specificity and structure for proteins and protein-protein complexes

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3342459

BindingDB: a web-accessible molecular recognition database

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3342459

Demonstration of the importance and usefulness of manipulating non-active-site residues in protein design

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3342459

On the Determination of Molecular Fields. II. From the Equation of State of a Gas

18 August 2018

1 reference

Crossref

https://api.crossref.org/works/10.1111%2FJ.1747-0285.2012.01356.X

Improved recognition of native-like protein structures using a combination of sequence-dependent and sequence-independent features of proteins

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22321894

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Interflap distances in HIV-1 protease determined by pulsed EPR measurements

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22321894

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Accurate prediction of protonation state as a prerequisite for reliable MM-PB(GB)SA binding free energy calculations of HIV-1 protease inhibitors

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22321894

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1111/J.1747-0285.2012.01356.X

1 reference

14 October 2017

1 reference

PMC publication ID

3342459

14 October 2017

PubMed publication ID

22321894

1 reference

PMC publication ID

3342459