中国科学院计算技术研究所机构知识库

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限定条件	专题：中国科学院计算技术研究所期刊论文    第一作者的第一单位    第一作者单位    通讯作者单位

已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序WOS被引频次升序WOS被引频次降序提交时间升序提交时间降序期刊影响因子升序期刊影响因子降序题名升序题名降序发表日期升序发表日期降序
	DeepBindBC: A practical deep learning method for identifying native-like protein-ligand complexes in virtual screening 期刊论文 METHODS, 2022, 卷号: 205, 页码: 247-262 作者:  Zhang, Haiping;  Zhang, Tingting;  Saravanan, Konda Mani;  Liao, Linbu;  Wu, Hao;  Zhang, Haishan;  Zhang, Huiling;  Pan, Yi;  Wu, Xuli;  Wei, Yanjie 收藏  |  浏览/下载：21/0  |  提交时间：2023/07/12 Native like protein-ligand  Drug virtual screening  ResNet  Deep learning  Human pancreatic alpha amylase inhibitor
	An Efficient Modern Strategy to Screen Drug Candidates Targeting RdRp of SARS-CoV-2 With Potentially High Selectivity and Specificity 期刊论文 FRONTIERS IN CHEMISTRY, 2022, 卷号: 10, 页码: 13 作者:  Zhang, Haiping;  Gong, Xiaohua;  Peng, Yun;  Saravanan, Konda Mani;  Bian, Hengwei;  Zhang, John Z. H.;  Wei, Yanjie;  Pan, Yi;  Yang, Yang 收藏  |  浏览/下载：31/0  |  提交时间：2022/12/07 antiviral agent  RdRp  compound specificity estimation  virtual screening  tubeimoside III
	An Integrated Deep Learning and Molecular Dynamics Simulation-Based Screening Pipeline Identifies Inhibitors of a New Cancer Drug Target TIPE2 期刊论文 FRONTIERS IN PHARMACOLOGY, 2021, 卷号: 12, 页码: 13 作者:  Zhang, Haiping;  Li, Junxin;  Saravanan, Konda Mani;  Wu, Hao;  Wang, Zhichao;  Wu, Du;  Wei, Yanjie;  Lu, Zhen;  Chen, Youhai H.;  Wan, Xiaochun;  Pan, Yi 收藏  |  浏览/下载：36/0  |  提交时间：2022/06/21 TIPE2  UM-164  virtual screening  deep learning  molecular dynamics simulation
	A novel virtual screening procedure identifies Pralatrexate as inhibitor of SARS-CoV-2 RdRp and it reduces viral replication in vitro 期刊论文 PLOS COMPUTATIONAL BIOLOGY, 2020, 卷号: 16, 期号: 12, 页码: 20 作者:  Zhang, Haiping;  Yang, Yang;  Li, Junxin;  Wang, Min;  Saravanan, Konda Mani;  Wei, Jinli;  Ng, Justin Tze-Yang;  Hossain, Md Tofazzal;  Liu, Maoxuan;  Zhang, Huiling;  Ren, Xiaohu;  Pan, Yi;  Peng, Yin;  Shi, Yi;  Wan, Xiaochun;  Liu, Yingxia;  Wei, Yanjie 收藏  |  浏览/下载：46/0  |  提交时间：2021/12/01
	Structural basis for the inhibition of SARS-CoV2 main protease by Indian medicinal plant-derived antiviral compounds 期刊论文 JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2020, 页码: 9 作者:  Saravanan, Konda Mani;  Zhang, Haiping;  Senthil, Renganathan;  Vijayakumar, Kevin Kumar;  Sounderrajan, Vignesh;  Wei, Yanjie;  Shakila, Harshavardhan 收藏  |  浏览/下载：104/0  |  提交时间：2020/12/10 SARS-CoV2  main protease  medicinal plants  molecular docking and dynamics  drug design
	FastNBL: fast neighbor lists establishment for molecular dynamics simulation based on bitwise operations 期刊论文 JOURNAL OF SUPERCOMPUTING, 2020, 卷号: 76, 期号: 7, 页码: 5501-5520 作者:  Li, Kun;  Li, Shigang;  Huang, Shan;  Chen, Yifeng;  Zhang, Yunquan 收藏  |  浏览/下载：56/0  |  提交时间：2020/12/10 Neighbor list  Bitwise operations  SIMD  Molecular dynamics
	FastNBL: fast neighbor lists establishment for molecular dynamics simulation based on bitwise operations (vol 457, pg 235, 2020) 期刊论文 JOURNAL OF SUPERCOMPUTING, 2019, 卷号: 75, 期号: 12, 页码: 8339-8340 作者:  Li, Kun;  Li, Shigang;  Huang, Shan;  Chen, Yifeng;  Zhang, Yunquan 收藏  |  浏览/下载：54/0  |  提交时间：2020/12/10