Ab initio molecular modeling in the study of drug metabolism (Q41725904)

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scientific article published on October 1997

Language	Label	Description	Also known as
English	Ab initio molecular modeling in the study of drug metabolism	scientific article published on October 1997

Statements

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

based on heuristic

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

1 reference

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

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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

Anab initioapproach 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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