(Q41725904)

English

Ab initio molecular modeling in the study of drug metabolism

scientific article published on October 1997

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scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

8 October 2017

Ab initio molecular modeling in the study of drug metabolism (English)

1 reference

Europe PubMed Central

PubMed publication ID

8 October 2017

author name string

M D Segall

1

1 reference

Europe PubMed Central

PubMed publication ID

8 October 2017

M C Payne

2

1 reference

Europe PubMed Central

PubMed publication ID

8 October 2017

S W Ellis

3

1 reference

Europe PubMed Central

PubMed publication ID

8 October 2017

G T Tucker

4

1 reference

Europe PubMed Central

PubMed publication ID

8 October 2017

R N Boyes

5

1 reference

Europe PubMed Central

PubMed publication ID

8 October 2017

language of work or name

1 reference

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inferred from title

publication date

1 October 1997

1 reference

Europe PubMed Central

PubMed publication ID

8 October 2017

European Journal of Drug Metabolism and Pharmacokinetics

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Europe PubMed Central

PubMed publication ID

8 October 2017

22

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Europe PubMed Central

PubMed publication ID

8 October 2017

4

1 reference

Europe PubMed Central

PubMed publication ID

8 October 2017

283-289

1 reference

Europe PubMed Central

PubMed publication ID

8 October 2017

Crystal structures of metyrapone- and phenylimidazole-inhibited complexes of cytochrome P-450cam

1 reference

https://pubmed.ncbi.nlm.nih.gov/9512922

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The structural basis for substrate-induced changes in redox potential and spin equilibrium in cytochrome P-450CAM

1 reference

https://pubmed.ncbi.nlm.nih.gov/9512922

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

PRO_LIGAND: an approach to de novo molecular design. 2. Design of novel molecules from molecular field analysis (MFA) models and pharmacophores.

1 reference

https://pubmed.ncbi.nlm.nih.gov/9512922

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Active-site topologies of human CYP2D6 and its aspartate-301 --> glutamate, asparagine, and glycine mutants.

1 reference

https://pubmed.ncbi.nlm.nih.gov/9512922

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Cytochrome P450cam: crystallography, oxygen activation, and electron transfer

1 reference

https://pubmed.ncbi.nlm.nih.gov/9512922

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Computer modeling of 3D structures of cytochrome P450s

1 reference

https://pubmed.ncbi.nlm.nih.gov/9512922

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Optimized and transferable nonlocal separable ab initio pseudopotentials

1 reference

https://pubmed.ncbi.nlm.nih.gov/9512922

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Crystal structures of cytochrome P-450CAM complexed with camphane, thiocamphor, and adamantane: factors controlling P-450 substrate hydroxylation

1 reference

https://pubmed.ncbi.nlm.nih.gov/9512922

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Crystal structure of substrate-free Pseudomonas putida cytochrome P-450

1 reference

https://pubmed.ncbi.nlm.nih.gov/9512922

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

An ab initio approach to the understanding of cytochrome P450-ligand interactions

1 reference

https://pubmed.ncbi.nlm.nih.gov/9512922

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A model for human cytochrome P450 2D6 based on homology modeling and NMR studies of substrate binding

1 reference

https://pubmed.ncbi.nlm.nih.gov/9512922

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Evidence for stabilization of the low-spin state of cytochrome P450 due to shortening of the proximal heme bond

1 reference

https://pubmed.ncbi.nlm.nih.gov/9512922

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1007/BF03190958

1 reference

Europe PubMed Central

PubMed publication ID

8 October 2017

Dimensions Publication ID

0 references

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

8 October 2017

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