[1] GAD H, KOOLMEISTER T, JEMTH A S, et al. MTH1 inhibition eradicates cancer by preventing sanitation of the dNTP pool[J]. Nature, 2014,508(7495):215-221.
[2] HUBER K V M, SALAH E, RADIC B, et al. Stereospecific targeting of MTH1 by (S)-crizotinib as an anticancer strategy[J]. Nature, 2014,508(7495):222-227.
[3] DOMINISSINI D, HE C. Cancer: Damage prevention targeted[J]. Nature, 2014,508(7495):191-192.
[4] GUERRERO G D, PREZ-SNCHEZ H E, CECILIA, J M, et al. Parallelization of virtual screening in drug discovery on massively parallel architectures// 2012 20th Euromicro International Conference on Parallel, Distributed and Network-Based Processing. 2012:588-595.
[5] MACALINO S J Y, GOSU V, HONG S, et al. Role of computer-aided drug design in modern drug discovery[J]. Archives of Pharmacal Research, 2015,38:1686-1701.
[6] HUNG C L. Computational methods for drug aid design[J]. Combinatorial Chemistry & High Throughput Screening, 2018,21(2):72-73.
[7] ALI M H, ANWAR S, ROY P K,et al. Virtual screening for identification of small lead compound inhibitors of Nipah virus attachment glycoprotein[J]. Journal of Pharmacogenomics & Pharmacoproteomics, 2018,9(2):1000180.
[8] AGRAHARI A K. A computational approach to identify a potential alternative drug with its positive impact toward PMP22[J]. Journal of Cellular Biochemistry, 2017,118(11):3730-3743.
[9] LEE H C, SALZEMANN J, JACQ N, et al. Grid-enabled high-throughput in silico screening against influenza a neuraminidase[J]. IEEE Transactions on NanoBioscience, 2006,5(4):288-295.
[10]ISEA R, MONTES E, RUBIO-MONTERO A J, et al. Characterization of antigenetic serotypes from the dengue virus in Venezuela by means of Grid Computing[J]. Studies in Health Technology and Informatics, 2010,159:234-238.
[11]BULLARD D, GOBBI A, LARDY M A, et al. Hydra: A self regenerating high performance computing grid for drug discovery[J]. Journal of Chemical Information and Modeling, 2008,48(4):811-816.
[12]ZHAO J, ZHANG R, ZHAO Z, et al. Hadoop MapReduce framework to implement molecular docking of large-scale virtual screening[C]// 2012 IEEE Asia-Pacific Services Computing Conference. 2012:350-353.
[13]JOSEPH J, FELLENSTEIN C. Grid Computing[M]. Prentice Hall Professional, 2004.
[14]NARAYAN S, BAILEY S, DAGA A. Hadoop acceleration in an OpenFlow-based cluster [C]// Proceedings of 2012 SC Companion: High Performance Computing, Networking Storage and Analysis. 2012:535-538.
[15]CHIEN A, FOSTER I, GODDETTE D. Grid technologies empowering drug discovery[J]. Drug Discovery Today, 2002,7(20):s176-s180.
[16]CLAUS B L, JOHNSON S R. Grid computing in large pharmaceutical molecular modeling[J]. Drug Discovery Today, 2008,13(13-14):578-583.
[17]BULLARD D, GOBBI A, LARDY M A, et al. Hydra: A self regenerating high performance computing grid for drug discovery[J]. Journal of Chemical Information and Modeling, 2008,48(4):811-816.
[18]YANG Z, BO C W, FENG B Q, et al. Test and analysis GPU-Accelerated in molecular dynamics Simulation[J]. Applied Mechanics and Materials, 2013,380:1652-1655.
[19]JPPF Team. JPPF[EB/OL]. [2019-08-01]. http://www.jppf.org/.
[20]熊晶,郭磊,高峰. 基于JPPF的分布式并行检索系统研究[J]. 计算机技术与发展, 2012,22(1):79-82.
[21]The Scripps Research Institute. AutoDock Vina[EB/OL]. [2019-08-01]. http://vina.scripps.edu/.
[22]The Scripps Research Institute. AutoDock 4[EB/OL]. [2019-08-01]. http://autodock.scripps.edu/.
[23]TROTT O, OLSON A J. AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading[J]. Journal of Computational Chemistry, 2010,31(2):455-461. |