نتایج جستجو برای: am1 semi

تعداد نتایج: 142683  

Journal: :The Journal of biological chemistry 2012
Kathrin Schneider Rémi Peyraud Patrick Kiefer Philipp Christen Nathanaël Delmotte Stéphane Massou Jean-Charles Portais Julia A Vorholt

Acetyl-CoA assimilation was extensively studied in organisms harboring the glyoxylate cycle. In this study, we analyzed the metabolism of the facultative methylotroph Methylobacterium extorquens AM1, which lacks isocitrate lyase, the key enzyme in the glyoxylate cycle, during growth on acetate. MS/MS-based proteomic analysis revealed that the protein repertoire of M. extorquens AM1 grown on ace...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه تربیت دبیر شهید رجایی - دانشکده علوم انسانی و تربیت بدنی 1390

در این تحقیق به بررسی برهمکنش میان مدل های ساختاری مختلف از گرافیت و مولکول استیلن پرداختیم و بدین منظور روشهای اوربیتال مولکولی نیمه تجربی نظیر am1 ،pm3، pm6 و روش آغازین اختلال مولرپلست مرتبه 2 (mp2) را به کار گرفتیم. در این پروژه تحقیقاتی، محاسبات با استفاده از نرم افزارهایی همچون mopac-2009،hyperchem وgamess صورت گرفت. به طور کلی 9 کنفورمر مختلف از سیستم استیلن-گرافیت را مدلسازی کرده و مولک...

1996
Gregory D. Hawkins Christopher J. Cramer Donald G. Truhlar

The pairwise descreening approximation provides a rapid computational algorithm for the evaluation of solute shape effects on electrostatic contributions to solvation energies. In this article we show that solvation models based on this algorithm are useful for predicting free energies of solvation across a wide range of solute functionalities, and we present six new general parametrizations of...

Journal: :Journal of chemical theory and computation 2007
Kwangho Nam Qiang Cui Jiali Gao Darrin M York

A semiempirical AM1/d Hamiltonian is developed to model phosphoryl transfer reactions catalyzed by enzymes and ribozymes for use in linear-scaling calculations and combined quantum mechanical/molecular mechanical simulations. The model, designated AM1/d-PhoT, is parametrized for H, O, and P atoms to reproduce high-level density-functional results from a recently constructed database of quantum ...

Journal: :The Biochemical journal 1980
A R Cross C Anthony

The obligate methylotroph Methylophilus methylotrophus contains three distinct soluble cytochromes c. The major cytochromes, cytochrome cH (about 50% of the total) and cytochrome cL (about 42%), were similar in most respects to the cytochromes cH and cL of the facultative methylotroph Pseudomonas AM1 [O'Keeffe & Anthony (1980) Biochem. J. 192, 411-419]. Cytochrome cH had a high isoelectric poin...

B. Abdolahipour M. Haghighi

The effect of different nitrogen levels on plant growth, phenol content, antioxidant and Nitrate reductase )NR) activity of cucumber (Cucumis sativus cv. Super) inoculated with mycorrhiza­ was studied. A factorial experiment based on a completely randomized design (CRD) with 6 replicates was designed. Treatments were three levels of nitrogen (NO3-50, NO3-75 and NO...

2009
Aliasghar Jarrahpour Abraham F. Jalbout

In this paper we propose the synthesis of 4-(anthracen-10-yl)-1-cyclohexyl-3-phenoxyazetidin2-one. In addition to its synthesis AM1 calculations to characterize the physical properties of the molecule is also presented.

Journal: :FEBS letters 2000
L Ridder B A Palfey J Vervoort I M Rietjens

The simulation of enzymatic reactions, using computer models, is becoming a powerful tool in the most fundamental challenge in biochemistry: to relate the catalytic activity of enzymes to their structure. In the present study, various computed parameters were correlated with the natural logarithm of experimental rate constants for the hydroxylation of various substrate derivatives catalysed by ...

2007
C. KIM

Electroporation conditions were determined for electroporating the broad-host-range plasmid pHX200V-47-ml (22.4 kb) into four pink-pigmented methylotrophic strains (Methylophilus methylotrophus AS1, Methylobacterium extorquens AM1, Methylobacterium organophilum XX, and Pseudomonas sp. M27). For these methylotrophs, a high electric-field strength (15 kV/cm) and high DNA concentration (18.75 ng/~...

Journal: :Journal of chemical information and computer sciences 2001
Mahindra T. Makhija Vithal M. Kulkarni

A three-dimensional quantitative structure activity relationship using the eigen value analysis (EVA) paradigm applied to 41 HIV-1 integrase inhibitors that inhibit integrase mediated cleavage (3'-processing step) and integration (3'-strand transfer step) in vitro was performed. The training set consisted of 35 molecules from five structurally diverse classes: salicylhydrazines, lichen acids, c...

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