(Q33719840)

28 July 2017

1 reference

title

Frontier orbitals in chemical and biological activity: quantitative relationships and mechanistic implications (English)

1 reference

28 July 2017

Lewis DF

1

1 reference

28 July 2017

language of work or name

English

0 references

publication date

1 August 1999

1 reference

28 July 2017

published in

Drug Metabolism Reviews

1 reference

28 July 2017

volume

31

1 reference

28 July 2017

issue

3

1 reference

28 July 2017

page(s)

755-816

1 reference

Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

28 July 2017

cites work

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

Strategic approaches to drug design. I. An integrated software framework for molecular modelling.

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

The induction of P450 I proteins by aromatic amines may be related to their carcinogenic potential

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

Induction of the P-450 I family of proteins by polycyclic aromatic hydrocarbons: possible relationship to their carcinogenicity

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

Quantitative structure-activity relationships in substrates, inducers, and inhibitors of cytochrome P4501 (CYP1).

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

Quantitative structure-activity relationships and COMPACT analysis of a series of food mutagens.

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

Structure-activity relationships of chemical mutagens and carcinogens

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

An empirical and theoretical study on mechanisms of mutagenic activity of hydrazine compounds.

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

Response of the ke test to NCI/NTP-screened chemicals. II. Genotoxic carcinogens and non-genotoxic non-carcinogens

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

Structure-activity studies of chemical carcinogens: use of an electrophilic reactivity parameter in a new QSAR model.

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

Electron transfers in chemistry and biology

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

The genotoxicity of benzanthracenes: a quantitative structure-activity study.

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

Structural requirements at the melatonin receptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

Molecular orbital calculations on tumour-inhibitory aniline mustards: QSARs

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

Nitrosamine carcinogenesis: rodent assays, quantitative structure-activity relationships, and human risk assessment

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

Prediction of chemical carcinogenicity from molecular and electronic structures: a comparison of MINDO/3 and CNDO/2 molecular orbital methods

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

Tumor-initiating ability of the twelve monomethylbenz[a]anthracenes

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

Serotonin receptor binding affinities of tryptamine analogs

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

Tumour-growth inhibitorynitrofphenylaziridines and related compounds structure-activity relationships

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

Nitrosamine carcinogenicity: A quantitative Hansch-Taft structure-activity relationship

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

Automatic log P estimation based on combined additive modeling methods.

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

Active site mechanics of liver microsomal cytochrome P-450.

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

The antibiotic rifampicin is a nonsteroidal ligand and activator of the human glucocorticoid receptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

An orphan nuclear receptor activated by pregnanes defines a novel steroid signaling pathway

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

Octanol‐Water Partition Coefficients of Simple Organic Compounds

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

Chemical reactivity and the concept of charge- and frontier-controlled reactions

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

Ligand interactions with cytochrome P-450. I. Binding of primary amines

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

Molecular modelling of mammalian CYP2B isoforms and their interaction with substrates, inhibitors and redox partners

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

The P450 catalytic cycle and oxygenation mechanism

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

Structural requirements for substrates of cytochromes P-450 and P-448

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

Molecular orbital calculations on tumour-inhibitory phenyl aziridines: QSARs

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

The interaction of a homologous series of hydrocarbons with hepatic cytochrome P-450. Molecular orbital-derived electronic and structural parameters influencing the haemoprotein spin state

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

Molecular modelling of CYP2B6, the human CYP2B isoform, by homology with the substrate-bound CYP102 crystal structure: evaluation of CYP2B6 substrate characteristics, the cytochrome b5 binding site and comparisons with CYP2B1 and CYP2B4

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

An improved and updated version of the compact procedure for the evaluation of P450-mediated chemical activation

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

MOPAC: a semiempirical molecular orbital program

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

Tumour-growth inhibitory nitrophenylaziridines and related compounds: Structure-activity relationships. II

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

A STUDY OF COMPARATIVE CHEMICAL AND BIOLOGICAL ACTIVITIES OF ALKYLATING AGENTS

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

A quantitative structure-activity relationship study on a series of 10 para-substituted toluenes binding to cytochrome P4502B4 (CYP2B4), and their hydroxylation rates

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

Molecular modelling of the rat peroxisome proliferator-activated receptor -alpha (rPPARalpha) by homology with the human retinoic acid X receptor alpha (hRXRalpha) and investigation of ligand binding interactions I: QSARs

21 January 2018

1 reference

https://api.crossref.org/works/10.1081%2FDMR-100101943

21 January 2018

Identifiers

DOI

10.1081/DMR-100101943

1 reference

28 July 2017

1 reference