sMiLeS :)

SMILES - A Simplified Chemical Language 

SMILES (Simplified Molecular Input Line Entry System) is a line notation (a typographical method using printable characters) for entering and representing molecules and reactions.

Some examples are:

SMILES	Name	SMILES	Name
CC	ethane	[OH3+]	hydronium ion
O=C=O	carbon dioxide	[2H]O[2H]	deuterium oxide
C#N	hydrogen cyanide	[235U]	uranium-235
CCN(CC)CC	triethylamine	F/C=C/F	E-difluoroethene
CC(=O)O	acetic acid	F/C=C\F	Z-difluoroethene
C1CCCCC1	cyclohexane	N[C@@H](C)C(=O)O	L-alanine
c1ccccc1	benzene	N[C@H](C)C(=O)O	D-alanine

Reaction SMILES	Name
[I-].[Na+].C=CCBr>>[Na+].[Br-].C=CCI	displacement reaction
(C(=O)O).(OCC)>>(C(=O)OCC).(O)	intermolecular esterification

USES for SMILES are:

• Keys for database access
• Mechanism for researchers to exchange chemical information
• Entry system for chemical data
• Part of languages for artificial intelligence or expert systems in chemistry

Learn Arabic (1) اللغة العربية

Today Arabic is spoken throughout the Arabian Peninsula, Iraq, Syria, Jordan, Lebanon, Palestine, Morocco, Tunisia, Algeria, Libya, Egypt, Sudan, Mauritania, and Chad. It is the mother tongue of over 225 million people in Africa and Asia. And since the Qur'an is written in Arabic, people in other Muslim countries have from basic to advanced knowledge of Arabic like in Indonesia (largest Muslim population), Malaysia, Pakistan, Bangladesh, Afghanistan, Azerbaijan, Turkmenistan, Uzbekistan, Tajikistan, Kyrgyzstan, Kazakhstan, Turkey, Israel, India also has one of the world's largest Muslim populations, although Islam is not the principal religion there. Djibouti, Gambia, Guinea, Mali, Niger, Senegal, Somalia, and Sudan, Eritrea, Ethiopia, Ghana, Tanzania (Zanzibar is predominantly Muslim), Nigeria ...and in many places where Islam is the dominant religion, or even among small Muslim communities, since Arabic is related directly to the Qur'an, the holy book of Muslim.




BASIC WORDS 

Yes = na'am    <----------click on the word No = laa Thank you = shukran Thank you very much = shukran Gazillan You're welcome = Ala ElRahib Wa ElSaa Please = Min Fadilak Excuse me = Ann Eazinak Good morning = Saba'a AlKair Good afternoon = Masa'a AlKair Good evening = Masa'a AlKair Good night = Laila Tiaba I do not understand = Ana laa Afham How do you say this in [English]? = Kaif Takool Thalik Bil[arabia]? Do you speak ... = Hal Tatakalm... English = Alingli'zia I = Ana We = Nahono You (singular, familiar) = Anta (m), Anti (f) You (singular, formal) = Anta (m), Anti (f) You (plural) = Antom, Antona They = Hom (m), Hoonna (f) What is your name? = Ma Ismook? Nice to meet you. = Sorirart Biro'aitak How are you? = Kaifa Halook? Good = Tayyib/ Bikair Bad = Saia/ Mosh Bikair So so = Eaini Wife = Za'oga Husband = Za'og Daughter = Ibna Son = Ibn Mother = Um Father = Ab Friend = Sadeek

PROTEIN DATA BANK (PDB)

 INTRODUCTION.

The Protein Data Bank (PDB) is a repository for the 3-D structural data of large biological molecules, such as proteins and nucleic acids. (See also crystallographic database). The data, typically obtained by X-ray crystallography or NMR spectroscopy and submitted by biologists and biochemists from around the world, are freely accessible on the Internet via the websites of its member organisations (PDBe, PDBj, and RCSB). The PDB is overseen by an organization called the Worldwide Protein Data Bank, wwPDB.

The PDB is a key resource in areas of structural biology, such as structural genomics. Most major scientific journals, and some funding agencies, such as the NIH in the USA, now require scientists to submit their structure data to the PDB. If the contents of the PDB are thought of as primary data, then there are hundreds of derived (i.e., secondary) databases that categorize the data differently. For example, both SCOP and CATH categorize structures according to type of structure and assumed evolutionary relations; GO categorize structures based on genes.

FtsH PEPTIDASE

 

 

Gene Ontology

1.DDB_G0267492 
2.DDB_G0284249
3. rcaA


Enzyme Commision 

3.4.14.5

SUMMARY:

Authors-
Juers, D.H.,   Weik, M.

Experiment-
Method:   X-RAY DIFFRACTION
Exp. Data:
  Structure Factors
EDS  

Resolution[Å]:	2.20
R-Value:	0.152 (obs.)
R-Free:	0.211
Space Group:	P 61 2 2

Unit Cell:
	Length [Å]	Angles [°]
	a = 93.22	α = 90.00
	b = 93.22	β = 90.00
	c = 128.61	γ = 120.00

 Chain- E

Thermolysin

Gene Ontology

PSPTO_3176

Enzyme Commision 

3.4.24.27

SUMMARY:

Authors-

Englert, L.,   Silber, K.,   Steuber, H.,   Brass, S.,   Over, B.,   Gerber, H.D.,   Heine, A.,   Diederich, W.E.,   Klebe, G.

Experiment-

Method:   X-RAY DIFFRACTION
Exp. Data:
  Structure Factors
EDS  

Resolution[Å]:	1.75
R-Value:	0.177 (obs.)
R-Free:	0.231
Space Group:	P 61 2 2

Unit Cell:
	Length [Å]	Angles [°]
	a = 92.72	α = 90.00
	b = 92.72	β = 90.00
	c = 129.96	γ = 120.00

Chains- A

Leucyl Aminopeptidase

Gene Ontology
3.4.11.1

 Enzyme Commision   

3.4.11.5

SUMMARY:

Authors-
Kale, A.,   Pijning, T.,   Sonke, T.,   Dijkstra, B.W.,   Thunnissen, A.M.

Experiment-
Method:   X-RAY DIFFRACTION
Exp. Data:
  Structure Factors

Resolution[Å]:	2.75
R-Value:	0.212 (work)
R-Free:	0.267
Space Group:	P 63

Unit Cell:
	Length [Å]	Angles [°]
	a = 116.95	α = 90.00
	b = 116.95	β = 90.00
	c = 137.90	γ = 120.00

Chains:A, B 
 

ChemSketch

A complete software package for drawing chemical structures.

ACD/ChemSketch is a chemically intelligent drawing interface that allows you to draw almost any chemical structure including organics, organometallics, polymers, and Markush structures. Use it to produce professional looking structures and diagrams for reports and publications.

Features

• Draw and view structures in 2D, or render in 3D to view from any angle
• Draw reactions and reaction schemes, and calculate reactant quantities
• Generate structures from InChI and SMILES strings
• Generate IUPAC systematic names for molecules of up to 50 atoms and 3 ring structures
• Predict logP for individual structures
• Search for structures in the built-in dictionary of over 165,000 systematic, trivial, and trade names

Benefits

• Visualize chemical structures in 2D or 3D to gain more insight into spatial configurations, and relationships to molecular properties
• Create professional reports, working with structures, text, and graphics simultaneously

See some examples of molecules drawn with ACD/ChemSketch: 

Create Markush structures with variable substitutions

Special Markush structures with added adn removed mass values or fragments

Draw complex coordination organometallics

Show aromaticity and 3D perspective

Nucleotide and many other biochemical templates are available

Draw molecular orbital diagrams with ease

بِسْــــــــــــــــــمِ اﷲِالرَّحْمَنِ اارَّحِيم

Bagi memberkati blog ni, post pertama adalah berkenaan dgn doa2 harian. :)

Takrif Doa

Doa ialah satu ucapan permohonan dari hambaNya kepada Alllah dengan rendah diri dari hati yang jujur dan ikhlas bagi mendapatkan rahmat, inayah dan pertolonganNya atau menolah segala bahaya, bala dan bencana dengan cara dan adab yang tertentu.

 

Tujuan Dan Adab Berdoa

* Mengetahui tujuan berdoa atau apa yang hendak dipohon dari Allah S.W.T.

* Doa dibaca dengan betul dan tepat sebutan mahrajnya.

* Doa dibaca dengan suara yang jelas dan sederhana ( tidak terlalu laju).

* Doa dibaca dengan suara yang sesuai ( tidak terlalu kuat dan sebaliknya).

* Doa dibaca dengan penuh rasa khusyuk dan tawaduk kepada Allah S.W.T