by Kearnes, Steven, McCloskey, Kevin, Berndl, Marc, Pande, Vijay, Riley, Patrick
Published in Journal of computer-aided molecular design (01.08.2016)

by Rodríguez-Pérez, Raquel, Bajorath, Jürgen
Published in Journal of computer-aided molecular design (01.10.2020)

by Madhavi Sastry, G., Adzhigirey, Matvey, Day, Tyler, Annabhimoju, Ramakrishna, Sherman, Woody
Published in Journal of computer-aided molecular design (01.03.2013)

by Klimovich, Pavel V., Shirts, Michael R., Mobley, David L.
Published in Journal of computer-aided molecular design (01.05.2015)

by Mobley, David L., Guthrie, J. Peter
Published in Journal of computer-aided molecular design (01.07.2014)

by Yao, Zhi-Jiang, Dong, Jie, Che, Yu-Jing, Zhu, Min-Feng, Wen, Ming, Wang, Ning-Ning, Wang, Shan, Lu, Ai-Ping, Cao, Dong-Sheng
Published in Journal of computer-aided molecular design (01.05.2016)

by Shirts, Michael R., Klein, Christoph, Swails, Jason M., Yin, Jian, Gilson, Michael K., Mobley, David L., Case, David A., Zhong, Ellen D.
Published in Journal of computer-aided molecular design (01.01.2017)

by Rizzi, Andrea, Jensen, Travis, Slochower, David R., Aldeghi, Matteo, Gapsys, Vytautas, Ntekoumes, Dimitris, Bosisio, Stefano, Papadourakis, Michail, Henriksen, Niel M., de Groot, Bert L., Cournia, Zoe, Dickson, Alex, Michel, Julien, Gilson, Michael K., Shirts, Michael R., Mobley, David L., Chodera, John D.
Published in Journal of computer-aided molecular design (01.05.2020)

by Koziara, Katarzyna B., Stroet, Martin, Malde, Alpeshkumar K., Mark, Alan E.
Published in Journal of computer-aided molecular design (01.03.2014)

by Nguyen, Duc Duy, Cang, Zixuan, Wu, Kedi, Wang, Menglun, Cao, Yin, Wei, Guo-Wei
Published in Journal of computer-aided molecular design (01.01.2019)

by Gaieb, Zied, Liu, Shuai, Gathiaka, Symon, Chiu, Michael, Yang, Huanwang, Shao, Chenghua, Feher, Victoria A., Walters, W. Patrick, Kuhn, Bernd, Rudolph, Markus G., Burley, Stephen K., Gilson, Michael K., Amaro, Rommie E.
Published in Journal of computer-aided molecular design (01.01.2018)

by Polishchuk, P. G., Madzhidov, T. I., Varnek, A.
Published in Journal of computer-aided molecular design (01.08.2013)

by Gaieb, Zied, Parks, Conor D., Chiu, Michael, Yang, Huanwang, Shao, Chenghua, Walters, W. Patrick, Lambert, Millard H., Nevins, Neysa, Bembenek, Scott D., Ameriks, Michael K., Mirzadegan, Tara, Burley, Stephen K., Amaro, Rommie E., Gilson, Michael K.
Published in Journal of computer-aided molecular design (01.01.2019)

by Rodríguez-Pérez, Raquel, Bajorath, Jürgen
Published in Journal of computer-aided molecular design (01.05.2022)

by Parks, Conor D., Gaieb, Zied, Chiu, Michael, Yang, Huanwang, Shao, Chenghua, Walters, W. Patrick, Jansen, Johanna M., McGaughey, Georgia, Lewis, Richard A., Bembenek, Scott D., Ameriks, Michael K., Mirzadegan, Tara, Burley, Stephen K., Amaro, Rommie E., Gilson, Michael K.
Published in Journal of computer-aided molecular design (01.02.2020)

by Rizzi, Andrea, Murkli, Steven, McNeill, John N., Yao, Wei, Sullivan, Matthew, Gilson, Michael K., Chiu, Michael W., Isaacs, Lyle, Gibb, Bruce C., Mobley, David L., Chodera, John D.
Published in Journal of computer-aided molecular design (01.10.2018)

by Seeliger, Daniel, de Groot, Bert L.
Published in Journal of computer-aided molecular design (01.05.2010)

by Gathiaka, Symon, Liu, Shuai, Chiu, Michael, Yang, Huanwang, Stuckey, Jeanne A., Kang, You Na, Delproposto, Jim, Kubish, Ginger, Dunbar, James B., Carlson, Heather A., Burley, Stephen K., Walters, W. Patrick, Amaro, Rommie E., Feher, Victoria A., Gilson, Michael K.
Published in Journal of computer-aided molecular design (01.09.2016)

by Yin, Jian, Henriksen, Niel M., Slochower, David R., Shirts, Michael R., Chiu, Michael W., Mobley, David L., Gilson, Michael K.
Published in Journal of computer-aided molecular design (01.01.2017)

by Brown, Nathan, Ertl, Peter, Lewis, Richard, Luksch, Torsten, Reker, Daniel, Schneider, Nadine
Published in Journal of computer-aided molecular design (01.07.2020)