(Q35821952)

10 August 2017

Validating the vitality strategy for fighting drug resistance (English)

1 reference

10 August 2017

3

Arieh Warshel

1 reference

10 August 2017

2

Maria P Frushicheva

1 reference

10 August 2017

Nidhi Singh

1

1 reference

PMC publication ID

3299486

10 August 2017

language of work or name

English

0 references

publication date

31 January 2012

1 reference

10 August 2017

1 reference

10 August 2017

80

1 reference

10 August 2017

4

1 reference

10 August 2017

1110-1122

1 reference

Challenges and advances in validating enzyme design proposals: the case of kemp eliminase catalysis

10 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

Exploring challenges in rational enzyme design by simulating the catalysis in artificial kemp eliminase

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

Absolute binding free energy calculations: on the accuracy of computational scoring of protein-ligand interactions

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

Detecting and understanding combinatorial mutation patterns responsible for HIV drug resistance

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

Toward accurate screening in computer-aided enzyme design

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

Anti-HIV drugs: 25 compounds approved within 25 years after the discovery of HIV.

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

Effect of Flap Mutations on Structure of HIV-1 Protease and Inhibition by Saquinavir and Darunavir

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

Computational design and experimental study of tighter binding peptides to an inactivated mutant of HIV-1 protease

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

Modeling electrostatic effects in proteins

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

Catalysis and linear free energy relationships in aspartic proteases

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

Simulating the effect of DNA polymerase mutations on transition-state energetics and fidelity: evaluating amino acid group contribution and allosteric coupling for ionized residues in human pol beta

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

Proton inventory study of the base-catalyzed hydrolysis of formamide. Consideration of the nucleophilic and general base mechanisms

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

Structure and mechanism of the pepsin-like family of aspartic peptidases

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

The role and perspective of ab initio molecular dynamics in the study of biological systems

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

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

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

Follow the protons: a low-barrier hydrogen bond unifies the mechanisms of the aspartic proteases

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

Examining methods for calculations of binding free energies: LRA, LIE, PDLD-LRA, and PDLD/S-LRA calculations of ligands binding to an HIV protease

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

11 July 2018

The Protein Data Bank

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

Escape mutants of HIV-1 proteinase: enzymic efficiency and susceptibility to inhibition

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

Cyclic urea amides: HIV-1 protease inhibitors with low nanomolar potency against both wild type and protease inhibitor resistant mutants of HIV

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

Cyclic HIV protease inhibitors: synthesis, conformational analysis, P2/P2' structure-activity relationship, and molecular recognition of cyclic ureas

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

Crystal structure at 1.9-A resolution of human immunodeficiency virus (HIV) II protease complexed with L-735,524, an orally bioavailable inhibitor of the HIV proteases

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

Use of steady state kinetic methods to elucidate the kinetic and chemical mechanisms of retroviral proteases

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

HIV population dynamics in vivo: implications for genetic variation, pathogenesis, and therapy

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

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

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

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

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

Kinetics and mechanism of decarboxylation of N-arylcarbamates. Evidence for kinetically important zwitterionic carbamic acid species of short lifetime

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

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

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

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

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

Molecular characterization of gag proteins from simian immunodeficiency virus (SIVMne).

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

Active human immunodeficiency virus protease is required for viral infectivity

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

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

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

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

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

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

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

Calculations of antibody-antigen interactions: microscopic and semi-microscopic evaluation of the free energies of binding of phosphorylcholine analogs to McPC603

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3299486

Evaluating the potency of HIV-1 protease drugs to combat resistance

11 July 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24012

Predicting drug-resistant mutations of HIV protease

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24012

Computational prediction of structure, substrate binding mode, mechanism, and rate for a malaria protease with a novel type of active site

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24012

Use of nitrogen-15 kinetic isotope effects to elucidate details of the chemical mechanism of human immunodeficiency virus 1 protease

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24012

Electrostatic contributions to protein-protein binding affinities: application to Rap/Raf interaction

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24012

A fast estimate of electrostatic group contributions to the free energy of protein-inhibitor binding.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24012

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24012

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24012

Electrostatic control of GTP and GDP binding in the oncoprotein p21ras

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24012

Multiscale simulations of protein landscapes: using coarse-grained models as reference potentials to full explicit models

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24012

The empirical valence bond model: theory and applications

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.24012

Evaluating the molecular mechanics poisson-boltzmann surface area free energy method using a congeneric series of ligands to p38 MAP kinase

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22275047

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Validation and use of the MM-PBSA approach for drug discovery

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22275047

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Simulation of enzyme reactions using valence bond force fields and other hybrid quantum/classical approaches

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.24012

[Reversal of multidrug resistance of gastric cancer cells by down-regulation of CIAPIN1 with CIAPIN1 siRNA]

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/PROT.24012

Identifiers

DOI

10.1002/PROT.24012

1 reference

10 August 2017

1 reference

PMC publication ID

3299486

10 August 2017

PubMed publication ID

22275047

1 reference

PMC publication ID

3299486