This training course is designed to help students systematically understand and master how to apply molecular simulation technology to solve some hot issues in Chinese medicine design and quickly
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Training time: May 9-11, 2018 (Wednesday to Friday)
Training Location: Suzhou Chuangteng Technology Training Center (Room 301, Building A2, 2.5 Industrial Park, No. 88 Dongchang Road, Suzhou Industrial Park, Jiangsu Province)
? Training subject:
Traditional Chinese medicine is traditional Chinese medicine. The development of traditional Chinese medicine by modern methods undoubtedly still has a broad space for development. The introduction of molecular simulation technology also provides new ideas for the development of new Chinese medicines. This training course is designed to help students understand and master how to apply molecular simulation technology to solve some hot issues in Chinese medicine design and quickly operate on the machine, such as: Chinese medicine targeting principle and prediction of active ingredients, virtual screening of traditional Chinese medicine, Chinese medicine-target The explanation of the action mechanism, the transformation and optimization of the structure of traditional Chinese medicine, the analysis of the structure-activity relationship of traditional Chinese medicine, and the evaluation of the drug-forming properties of traditional Chinese medicine.
? Training objects:
Researchers engaged in the research and development of traditional Chinese medicine or drug research and development fields want to understand the molecular simulation, the interest in molecular simulation, and the people who want to use molecular simulation technology to carry out research work on traditional Chinese medicine and can quickly simulate the operation of the machine.
?training content:
This training is mainly based on Discovery Studio software, multi-molecular docking algorithm in DS, comprehensive pharmacophore model construction method, reverse target finding method based on the most complete pharmacophore model database on the market, comprehensive A comprehensive introduction and discussion of fragment-based drug design strategies, analysis of quantitative structure-activity relationships, prediction of ADMET properties, and analysis of drug-like properties and applications in the field of traditional Chinese medicine. In addition, this training will also introduce the retrieval and application of TCMD Chinese Medicine Chemistry Database.
Virtual screening of traditional Chinese medicine compounds: using TCMD Chinese medicine chemical database as a virtual sieve source, based on molecular docking, pharmacophore, LUDI fragment design, ADMET prediction, drug-like analysis for virtual screening;
Determination of active ingredients of traditional Chinese medicine and search for potential targets: based on the pharmacophore to confirm the active ingredients of traditional Chinese medicine, based on the pharmacophore model database PharmaDB for reverse virtual screening of targets;
Interpretation of the structure-activity relationship of traditional Chinese medicine compounds and the explanation of the mechanism of action of drug targets: based on molecular docking to predict the mode of action and key amino acid positions of traditional Chinese medicine compound-targets and explain the structure-activity relationship, the structure-activity relationship of traditional Chinese medicine compounds is analyzed based on QSAR method;
The transformation of traditional Chinese medicine compounds: based on molecular docking, pharmacophore, fragment drug design, QSAR on the basis of traditional Chinese medicine compound skeleton transformation and optimization.
?training form:
1. Explain the design strategy of traditional Chinese medicine and the principle introduction of the corresponding functional modules through literature case analysis;
2, on the machine operation: explain the specific operation process and parameter settings of each step in the design process of traditional Chinese medicine (provide a complete training course);
3. The participants exchanged and discussed, and the engineers answered questions and answered questions on the spot.
? Course schedule: Please see the "Course Schedule" below
? Website registration: Please? Click here to welcome interested teachers and students to register. Limited places, registration as soon as possible!
Mobile registration: identify the following QR code, submit the registration
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? Training class contact
Chuang Teng Technology Co., Ltd. Market
Training website: http://training.neotrident.com/
?training fees:
Note: 1. The training fee includes tuition fee, data fee, computer fee, and lunch. Accommodation and transportation costs are at your own expense.
2. The content of the unified invoice is “training feeâ€. The invoice will be sent to the trainer during the training period. If you have special requirements for the invoice, please indicate it in the receipt.
?Payment methods:
a, bank remittance (please note the name of the participant when remittance)
Account Name: Beijing Chuangteng Technology Co., Ltd. Shanghai Branch
Bank: China Merchants Bank Shanghai Chenhui Branch
Account
b. Cash payment: Cash or credit card can be collected at the training site.
Accommodation transportation
? Training Location: Suzhou Chuang Teng Technology Training Center
Training Address: Room 301, Building A2, 2.5 Industrial Park, No. 88 Dongchang Road, Industrial Park, Suzhou, Jiangsu, China
? Accommodation around (please ask the students to book their own, the cost is self-care):
1) Hotel Name: Hanting Hotel (Suzhou Phoenix Xintiandi) 0512-62805388|
Address: No. 103, Building 41, Phoenix Xintiandi Commercial Phase II, No. 9 Nanxun Yu Street, Suzhou Industrial Park
2) Hotel Name: Suzhou Dongsha Lake Neighbourhood Business Hotel 0512-67997868
Hotel Address: 100 Dongshahu Road, Suzhou Industrial Park
3) Hotel Name: Ibis Hotel (Suzhou Industrial Park Center Hotel) 0512-81879966
Hotel Address: No. 292, Suzhou Avenue East, Suzhou, Jiangsu ((Exit 4, Nanshi Street Station, Metro Line 1)
Note: The above three budget hotels are for students' reference. The surrounding accommodation is very tight and reminds the students to book accommodation early.
?Park map reference
?? Traffic route reference:
?•Suzhou Park Railway Station
1. [Shanghai-Nanjing City Railway Station Station Square Station] Take the bus No. 116, get off at [Suzhou Middle School Campus Station] and walk for 970 meters. The journey takes approximately 1 hour and 10 minutes.
2, the shortest distance is about 11 kilometers, the cost is about 30 yuan.
?•Suzhou Station
1. Subway Line 2 (South of Baodai Bridge) [Suzhou Railway Station] get on the bus, [Guangzhou Jinan Road Station] Get off and change to Metro Line 1 (direction of Zhongnan Street), to [Zhongnan Street Station] Exit No. 1 of the car, [Chengnan Street, the first station of the South Station] on the 209 road, [2.5 Industrial Park Station] get off, walk 100 meters to. The journey takes approximately 1 hour and 20 minutes.
2, the shortest distance is about 21 kilometers, the cost is about 55 yuan.
•? Suzhou North Railway Station
1. Subway Line 2 (the direction of Baodai Bridge South) [High Speed ​​Rail Suzhou North Station] get on the bus, [Guangzhou Jinan Road Station] get off and change to Metro Line 1 (direction of Zhongnan Street), [Zhongnan Street Station] Exit No. 1 of the car, [Chengnan Street, the first station of the South Station] on the 209 road, [2.5 Industrial Park Station] get off, walk 100 meters to; the whole journey is about 1 hour and 50 minutes.
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See the official website for more details:
Immediate consultation to turn 219 (Shanghai Office)
010-82676188 to 213 (Beijing Office)
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