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High-performance computing and big data in omics-based medicine.
Merelli I, Pérez-Sánchez H, Gesing S, D'Agostino D. Merelli I, et al. Among authors: gesing s. Biomed Res Int. 2014;2014:825649. doi: 10.1155/2014/825649. Epub 2014 Dec 22. Biomed Res Int. 2014. PMID: 25587542 Free PMC article. No abstract available.
Editorial: High Performance Computing in Drug Discovery.
Pérez-Sánchez H, Gesing S, Merelli I. Pérez-Sánchez H, et al. Among authors: gesing s. Curr Drug Targets. 2016;17(14):1578-1579. doi: 10.2174/138945011714160930230542. Curr Drug Targets. 2016. PMID: 27991399 No abstract available.
Advances in distributed computing with modern drug discovery.
Banegas-Luna AJ, Imbernón B, Llanes Castro A, Pérez-Garrido A, Cerón-Carrasco JP, Gesing S, Merelli I, D'Agostino D, Pérez-Sánchez H. Banegas-Luna AJ, et al. Among authors: gesing s. Expert Opin Drug Discov. 2019 Jan;14(1):9-22. doi: 10.1080/17460441.2019.1552936. Epub 2018 Dec 13. Expert Opin Drug Discov. 2019. PMID: 30484337 Review.
Portals and Web-Based Resources for Virtual Screening.
Krüger J, Thiel P, Merelli I, Grunzke R, Gesing S. Krüger J, et al. Among authors: gesing s. Curr Drug Targets. 2016;17(14):1649-1660. doi: 10.2174/1389450117666160201105806. Curr Drug Targets. 2016. PMID: 26844570 Review.
Developing science gateways for drug discovery in a grid environment.
Pérez-Sánchez H, Rezaei V, Mezhuyev V, Man D, Peña-García J, den-Haan H, Gesing S. Pérez-Sánchez H, et al. Among authors: gesing s. Springerplus. 2016 Aug 9;5(1):1300. doi: 10.1186/s40064-016-2914-x. eCollection 2016. Springerplus. 2016. PMID: 27547674 Free PMC article.
Performance studies on distributed virtual screening.
Krüger J, Grunzke R, Herres-Pawlis S, Hoffmann A, de la Garza L, Kohlbacher O, Nagel WE, Gesing S. Krüger J, et al. Among authors: gesing s. Biomed Res Int. 2014;2014:624024. doi: 10.1155/2014/624024. Epub 2014 Jun 17. Biomed Res Int. 2014. PMID: 25032219 Free PMC article.
The MoSGrid Science Gateway - A Complete Solution for Molecular Simulations.
Krüger J, Grunzke R, Gesing S, Breuers S, Brinkmann A, de la Garza L, Kohlbacher O, Kruse M, Nagel WE, Packschies L, Müller-Pfefferkorn R, Schäfer P, Schärfe C, Steinke T, Schlemmer T, Warzecha KD, Zink A, Herres-Pawlis S. Krüger J, et al. Among authors: gesing s. J Chem Theory Comput. 2014 Jun 10;10(6):2232-45. doi: 10.1021/ct500159h. Epub 2014 May 19. J Chem Theory Comput. 2014. PMID: 26580747
22 results