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OFraMP: a fragment-based tool to facilitate the parametrization of large molecules.
Stroet M, Caron B, Engler MS, van der Woning J, Kauffmann A, van Dijk M, El-Kebir M, Visscher KM, Holownia J, Macfarlane C, Bennion BJ, Gelpi-Dominguez S, Lightstone FC, van der Storm T, Geerke DP, Mark AE, Klau GW. Stroet M, et al. Among authors: klau gw. J Comput Aided Mol Des. 2023 Aug;37(8):357-371. doi: 10.1007/s10822-023-00511-7. Epub 2023 Jun 13. J Comput Aided Mol Des. 2023. PMID: 37310542 Free PMC article.
Ancient dispersal of the human fungal pathogen Cryptococcus gattii from the Amazon rainforest.
Hagen F, Ceresini PC, Polacheck I, Ma H, van Nieuwerburgh F, Gabaldón T, Kagan S, Pursall ER, Hoogveld HL, van Iersel LJ, Klau GW, Kelk SM, Stougie L, Bartlett KH, Voelz K, Pryszcz LP, Castañeda E, Lazera M, Meyer W, Deforce D, Meis JF, May RC, Klaassen CH, Boekhout T. Hagen F, et al. Among authors: klau gw. PLoS One. 2013 Aug 7;8(8):e71148. doi: 10.1371/journal.pone.0071148. Print 2013. PLoS One. 2013. PMID: 23940707 Free PMC article.
Charge group partitioning in biomolecular simulation.
Canzar S, El-Kebir M, Pool R, Elbassioni K, Mark AE, Geerke DP, Stougie L, Klau GW. Canzar S, et al. Among authors: klau gw. J Comput Biol. 2013 Mar;20(3):188-98. doi: 10.1089/cmb.2012.0239. J Comput Biol. 2013. PMID: 23461571 Free PMC article.
48 results