(Q27136650)

2

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Curt M. Breneman

4

object named as

Curt Breneman

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author name string

Jed Zaretzki

3

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Lars Olsen

ACS Medicinal Chemistry Letters

5

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language of work or name

English

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publication date

10 June 2010

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published in

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volume

1

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page(s)

96-100

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issue

3

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cites work

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1 reference

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Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics

21 March 2017

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Density-functional exchange-energy approximation with correct asymptotic behavior

21 March 2017

1 reference

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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

21 March 2017

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Cytochromes P450: a structure-based summary of biotransformations using representative substrates

7 April 2017

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State-of-the-art tools for computational site of metabolism predictions: comparative analysis, mechanistical insights, and future applications

28 September 2017

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Structural basis for ligand promiscuity in cytochrome P450 3A4.

28 September 2017

1 reference

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Computational approaches for predicting CYP-related metabolism properties in the screening of new drugs

28 September 2017

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Summary of information on human CYP enzymes: human P450 metabolism data

28 September 2017

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Empirical regioselectivity models for human cytochromes P450 3A4, 2D6, and 2C9.

28 September 2017

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Sulfoxide, Sulfur, and Nitrogen Oxidation and Dealkylation by Cytochrome P450

31 May 2018

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Fast Prediction of Cytochrome P450 Mediated Drug Metabolism

28 November 2018

1 reference

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CypScore: Quantitative prediction of reactivity toward cytochromes P450 based on semiempirical molecular orbital theory

28 November 2018

1 reference

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Prediction of activation energies for aromatic oxidation by cytochrome P450.

28 November 2018

1 reference

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28 November 2018

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Regioselectivity prediction of CYP1A2-mediated phase I metabolism.

28 November 2018

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Prediction of activation energies for hydrogen abstraction by cytochrome p450.

28 November 2018

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A model for predicting likely sites of CYP3A4-mediated metabolism on drug-like molecules

28 November 2018

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PubMed

https://pubmed.ncbi.nlm.nih.gov/24936230

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

The reaction mechanism of iron and manganese superoxide dismutases studied by theoretical calculations

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24936230

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11–18

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ML100016X

Density-functional thermochemistry. III. The role of exact exchange

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4 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ML100016X

Electronic structure calculations on workstation computers: The program system turbomole

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4 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ML100016X

Self‐consistent molecular orbital methods. XXIII. A polarization‐type basis set for second‐row elements

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ML100016X

Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions

1 reference

4 April 2022

https://opencitations.net/index/coci/api/v1/references/10.1021/ML100016X

Identifiers

DOI

10.1021/ML100016X

1 reference

release_hfwj7puvhvdftjl4xv3b6z26ny

3074758

Fatcat ID

0 references

3074758

1 reference

1 reference

1 reference