SAR by Space: Enriching Hit Sets from the Chemical Space

Autor: Franca-Maria Klingler, Marcus Gastreich, Oleksandr O. Grygorenko, Olena Savych, Petro Borysko, Anastasia Griniukova, Kateryna E. Gubina, Christian Lemmen, Yurii S. Moroz

Publikováno v: Molecules, Vol 24, Iss 17, p 3096 (2019)

We introduce SAR by Space, a concept to drastically accelerate structure-activity relationship (SAR) elucidation by synthesizing neighboring compounds that originate from vast chemical spaces. The space navigation is accomplished within minutes on af

Externí odkaz: https://doaj.org/article/f9fd1d3cde3e4c9ca8fe4a49155cb0cc

Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors

Autor: Paul Beroza, James J. Crawford, Oleg Ganichkin, Leo Gendelev, Seth F. Harris, Raphael Klein, Anh Miu, Stefan Steinbacher, Franca-Maria Klingler, Christian Lemmen

Publikováno v: Nature communications. 13(1)

With the ever-increasing number of synthesis-on-demand compounds for drug lead discovery, there is a great need for efficient search technologies. We present the successful application of a virtual screening method that combines two advances: (1) it

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6a55df6e0167183b5eeba50041616d38
https://pubmed.ncbi.nlm.nih.gov/36307407

CANCELLED: Forest Fire Monitoring-An Integrated Approach to Sustain Forest Bio-diversity

Autor: Christian Lemmen

Publikováno v: Proceedings of the 5th European Congress of Conservation Biology.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::5b7af4407b89b9b1af80d63794e33f63
https://doi.org/10.17011/conference/eccb2018/107234

Proceedings of the 7th Biannual International Symposium on Nasopharyngeal Carcinoma 2015

Autor: IB Tan, Ellen T. Chang, Chien-Jen Chen, Wan-Lun Hsu, Yin-Chu Chien, Allan Hildesheim, James D. McKay, Valerie Gaborieau, Mohamed Arifin Bin Kaderi, Dewajani Purnomosari, Catherine Voegele, Florence LeCalvez-Kelm, Graham Byrnes, Paul Brennan, Beena Devi, L. Li, Y. Zhang, Y. Fan, K. Sun, Z. Du, H. Sun, A. T. Chan, S. W. Tsao, Y. X. Zeng, Q. Tao, Pierre Busson, Claire Lhuillier, Olivier Morales, Dhafer Mrizak, Aurore Gelin, Nikiforos Kapetanakis, Nadira Delhem, Sheila Mansouri, Jennifer Cao, Anup Vaidya, Lori Frappier, Lo Kwok Wai, Sui-Hong Chen, Jin-lin Du, Ming-Fang Ji, Qi-Hong Huang, Qing Liu, Su-Mei Cao, Denise L. Doolan, Anna Coghill, Jason Mulvenna, Carla Proietti, Lea Lekieffre, Jeffrey Bethony, and Allan Hildesheim, Renske Fles, Sagung Rai Indrasari, Camelia Herdini, Santi Martini, Atoillah Isfandiari, Achmad Rhomdoni, Marlinda Adham, Ika Mayangsari, Erik van Werkhoven, Maarten Wildeman, Bambang Hariwiyanto, Bambang Hermani, Widodo Ario Kentjono, Sofia Mubarika Haryana, Marjanka Schmidt, Brian O’Sullivan, Enis Ozyar, Anne W. M. Lee, Mu-Sheng Zeng, Xiaojiang Gao, Minzhong Tang, Pat Martin, Yi Zeng, Mary Carrington, Anna E. Coghill, Wei Bu, Hanh Nguyen, Kelly J. Yu, Pei-Jen Lou, Cheng-Ping Wang, Jeffrey I. Cohen, Ann D. King, Tseng-Cheng Chen, Ching-Yuan Lin, Yung-An Tsou, Yi-Shing Leu, Li-Jen Laio, Yen-Liang Chang, Chun-Hun Hua, Ming-Shiang Wu, Chu-Hsing Kate Hsiao, Jehn-Chuan Lee, Ming-Hsui Tsai, Skye Hung-Chun Cheng, Li-Jen Liao, Tsung-Lin Yang, Jenq-Yuh Ko, Josephine Mun Yee Ko, Wei Dai, Dora Kwong, Wai Tong Ng, Anne Lee, Roger Kai Cheong Ngan, Chun Chung Yau, Stewart Tung, Maria Li Lung, Mingfang Ji, Wei Sheng, Mun Hon Ng, Weimin Cheng, Xia Yu, Biaohua Wu, Kuangrong Wei, Jun Zhan, Yi Xin Zeng, Su Mei Cao, Ningshao Xia, Yong Yuan, Qian Cui, Miao Xu, Jin-Xin Bei, Yi-Xin Zeng, B Şahin, A Dizman, M Esassolak, A Saran İkizler, HC Yıldırım, M Çaloğlu, B Atalar, F Akman, C Demiroz, BM Atasoy, E Canyilmaz, S Igdem, G Ugurluer, T Kütük, M Akmansoy, E Ozyar, Kiattisa Sommat, Fu Qiang Wang, Li-Lian Kwok, Terence Tan, Kam Weng Fong, Yoke Lim Soong, Shie Lee Cheah, Joseph Wee, M Casanova, E Özyar, C Patte, D Orbach, A Ferrari, VF Cristine, H Errihani, J Pan, L Zhang, S Liji, K Grzegorzewski, L Gore, A Varan, Susanna Hilda Hutajulu, Guntara Khuzairi, Henry Kusumo, Mardiah Suci Hardianti, Kartika Widayati Taroeno-Hariadi, Ibnu Purwanto, Johan Kurnianda, Troy E. Messick, Kimberly Malecka, Lois Tolvinski, Samantha Soldan, Julianna Deakyne, Hui Song, Antonio van den Heuvel, Baiwei Gu, Joel Cassel, Mark McDonnell, Garry R. Smith, Venkata Velvadapu, Haiyan Bian, Yan Zhang, Marianne Carlsen, Shuai Chen, Alastair Donald, Christian Lemmen, Allen B. Reitz, Paul M. Lieberman, King Chi Chan, Lai Sheung Chan, Kwok Wai Lo, Timothy Tak Chun Yip, Michael Kahn, Nai Ki Mak, Fei-Fei Liu, Wafa Khaali, Juliette Thariat, Laurence Fantin, Flavia Spirito, Meriem Khyatti, El Khalil Ben Driss, Sylvain Olivero, Janet Maryanski, Alain Doglio, Mengxue Xia, Yunfei Xia, Hui Chang, Rachel Shaw, Pudji Rahaju, Sindhu Wisesa, Kartika Widayati Taroeno-Harijadi, Wigati Dhamiyati, Sang-Nee Tan, Sai-Peng Sim, Muhtarum Yusuf, Ahmad C. Romdhoni, Widodo Ario K, Fedik Abdul Rantam, null Sugiyanto, Lina Aryati, Fajar Adi-Kusumo, SY Bintoro, R. Oktriani, C. Herawati, A. Surono, Sofia M. Haryana, L. Zhong, B. B. Ma, M. Kalra, M. Ngo, S. Perna, A. Leen, N. Lapteva, C. M. Rooney, S. Gottschalk, Elida Mustikaningtyas, Sri Herawati, Achmad C. Romdhoni, Yarui Xu, Shengxiang Ge, Fugui Li, M. H. Ng, Louise SY Tan, Benjamin Wong, C. M. Lim, Fedik A. Rantam, Deasy Z. Madani, Nur Akbar, Agung Dinasti Permana, Jajah Fachiroh, Dwi Hartati, T. Baning Rahayudjati, Iswandi Darwis, Khoirul Anwar, Sri Retna Dwidanarti, Dominicus Wendhy Pramana, Diah Ari Safitri, Sri Retna Dwi Danarti, Suryo A Taroeno, I. Wijaya, A. Oehadian, D. Prasetya, Kelly J Yu, Sukri Rahman, Bestari J. Budiman, null Novialdi, null Rahmadona, Dewi Yuri Lestari, C. Yin, A. Foussadier, E. Blein, C. Chen, N. Bournet Ammour, M. Khiatti, S. Cao, Dewi Syafriyetti Soeis Marzaini, Baning Rahayujati, L. Gunawan, S. Mubarika Haryana, Michael Hartono, Umi Intansari, Dewi Kartikawati Paramita, Akmal Akbar, Benny Hermawan, Dewi K. Paramita, Gabriella Argy, Theodora Caroline Sihotang, Daniel Joko Wahyono, Purnomo Soeharso, Dwi Anita Suryandari, null Lisnawati, Zanil Musa, Maelinda Daker, Yeo Jiun Tzen, Norhasimah Bakar, Asma’ Saiyidatina Aishah Abdul Rahman, Munirah Ahmad, Yeo Tiong Chia, Alan Khoo Soo Beng, Widyandani Sasikirana, Tirta Wardana, Muhammad Radifar, Cita Herawati, Agus Surono

Publikováno v: BMC Proceedings. 10

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::539c66f700af7e16c1cd791c730ce5ed
https://doi.org/10.1186/s12919-016-0001-5

Algorithmic Engines in Virtual Screening

Autor: Hans Matter, Matthias Rarey, Christian Lemmen

Publikováno v: Chemoinformatics in Drug Discovery

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::215b4543f38b1d21b9e2bb75e4df1dac
https://doi.org/10.1002/3527603743.ch4