by Gapsys, Vytautas, Michielssens, Servaas, Seeliger, Daniel, de Groot, Bert L.
Published in Journal of computational chemistry (15.02.2015)

by Gapsys, Vytautas, de Groot, Bert L
Published in eLife (19.08.2020)

by Gapsys, Vytautas, Pérez-Benito, Laura, Aldeghi, Matteo, Seeliger, Daniel, van Vlijmen, Herman, Tresadern, Gary, de Groot, Bert L.
Published in Chemical science (Cambridge) (2020)

by Rauscher, Sarah, Gapsys, Vytautas, Gajda, Michal J, Zweckstetter, Markus, de Groot, Bert L, Grubmüller, Helmut
Published in Journal of chemical theory and computation (10.11.2015)

by Gapsys, Vytautas, Michielssens, Servaas, Seeliger, Daniel, de Groot, Bert L.
Published in Angewandte Chemie International Edition (20.06.2016)

by Gapsys, Vytautas, de Groot, Bert L
Published in eLife (20.06.2019)

by Gapsys, Vytautas, Yildirim, Ahmet, Aldeghi, Matteo, Khalak, Yuriy, van der Spoel, David, de Groot, Bert L.
Published in Communications chemistry (11.05.2021)

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 Aldeghi, Matteo, Gapsys, Vytautas, de Groot, Bert L
Published in ACS central science (26.12.2018)

by Khalak, Yuriy, Tresadern, Gary, de Groot, Bert L., Gapsys, Vytautas
Published in Journal of computer-aided molecular design (01.01.2021)

by Chakrabarti, Kalyan S., Olsson, Simon, Pratihar, Supriya, Giller, Karin, Overkamp, Kerstin, Lee, Ko On, Gapsys, Vytautas, Ryu, Kyoung-Seok, de Groot, Bert L., Noé, Frank, Becker, Stefan, Lee, Donghan, Weikl, Thomas R., Griesinger, Christian
Published in Nature communications (01.07.2022)

by Aldeghi, Matteo, Gapsys, Vytautas, de Groot, Bert L
Published in ACS central science (28.08.2019)

by Bastys, Tomas, Gapsys, Vytautas, Doncheva, Nadezhda T, Kaiser, Rolf, de Groot, Bert L, Kalinina, Olga V
Published in Journal of chemical theory and computation (10.07.2018)

by Matthes, Dirk, Gapsys, Vytautas, Brennecke, Julian T., de Groot, Bert L.
Published in Scientific reports (12.09.2016)

by Bastys, Tomas, Gapsys, Vytautas, Walter, Hauke, Heger, Eva, Doncheva, Nadezhda T, Kaiser, Rolf, de Groot, Bert L, Kalinina, Olga V
Published in Retrovirology (19.05.2020)

by Moore, J. Harry, Margreitter, Christian, Janet, Jon Paul, Engkvist, Ola, de Groot, Bert L., Gapsys, Vytautas
Published in Communications chemistry (27.04.2023)

by Matthes, Dirk, Gapsys, Vytautas, Daebel, Venita, de Groot, Bert L
Published in PloS one (03.05.2011)

by Gapsys, Vytautas, de Groot, Bert L
Published in Journal of chemical theory and computation (12.12.2017)

by Khalak, Yuriy, Tresadern, Gary, Hahn, David F., de Groot, Bert L., Gapsys, Vytautas
Published in Journal of chemical theory and computation (11.10.2022)

by Gapsys, Vytautas, Kopec, Wojciech, Matthes, Dirk, de Groot, Bert L.
Published in Current opinion in structural biology (01.10.2024)