Thats a unique idea.You should consider the following idea to enhance your idea so that it would impact uniquely: In order to foster innovation and improve the effectiveness of drug discovery, there is a considerable interest in exploring unknown ‘chemical space’ to identify new bioactive compounds with novel and diverse scaffolds. Hence, fragment-based drug discovery (FBDD) was developed rapidly due to its advanced expansive search for ‘chemical space’, which can lead to a higher hit rate and ligand efficiency (LE). Hover, computational screening of fragments is always hampered by the promiscuous binding model. In this study,  developed a new b server Auto Core Fragment in silico Screening (ACFIS). It includes three computational modules, PARA_GEN, CORE_GEN and CAND_GEN. ACFIS can generate core fragment structure from the active molecule using fragment deconstruction analysis and perform in silico screening by growing fragments to the junction of core fragment structure. An integrated energy calculation rapidly identifies which fragments fit the binding site of a protein.  constructed a simple interface to enable users to view top-ranking molecules in 2D and the binding mode in 3D for further experimental exploration. This makes the ACFIS a highly valuable tool for drug discovery. The ACFIS b server is free and open to all users at http://chemyang.ccnu.edu.cn/ccb/server/ACFIS/.
['Ge-Fei Hao', 'Wen Jiang', 'Yuan-Nong Ye', 'Fengxu Wu', 'Xiao-Lei Zhu', 'Feng-Biao Guo', 'Guang-Fu Yang']
I am writing a research paper on a idea ACFIS: a web server for fragment-based drug discovery
[{"from": "human", "value": "I am writing a research paper on a idea ACFIS: a web server for fragment-based drug discovery"}, {"from": "gpt", "value": "Thats a unique idea.You should consider the following idea to enhance your idea so that it would impact uniquely: In order to foster innovation and improve the effectiveness of drug discovery, there is a considerable interest in exploring unknown \u2018chemical space\u2019 to identify new bioactive compounds with novel and diverse scaffolds. Hence, fragment-based drug discovery (FBDD) was developed rapidly due to its advanced expansive search for \u2018chemical space\u2019, which can lead to a higher hit rate and ligand efficiency (LE). Hover, computational screening of fragments is always hampered by the promiscuous binding model. In this study,  developed a new b server Auto Core Fragment in silico Screening (ACFIS). It includes three computational modules, PARA_GEN, CORE_GEN and CAND_GEN. ACFIS can generate core fragment structure from the active molecule using fragment deconstruction analysis and perform in silico screening by growing fragments to the junction of core fragment structure. An integrated energy calculation rapidly identifies which fragments fit the binding site of a protein.  constructed a simple interface to enable users to view top-ranking molecules in 2D and the binding mode in 3D for further experimental exploration. This makes the ACFIS a highly valuable tool for drug discovery. The ACFIS b server is free and open to all users at http://chemyang.ccnu.edu.cn/ccb/server/ACFIS/."}]