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The Journal of Chemical Physics|November 23, 2017
Focused conformational sampling in proteinsMarco Bacci, Cassiano Langini, Jiří Vymětal, et al.Thrombosis and Haemostasis|June 6, 2007
Factor XIII activation peptide is released into plasma upon cleavage by thrombin and shows a different structure compared to its bound formVerena Schroeder, Jean-Marc Vuissoz, Amedeo Caflisch, et al.Protein Science : a Publication of the Protein Society|March 25, 2009
9,10-Anthraquinone hinders beta-aggregation: how does a small molecule interfere with Abeta-peptide amyloid fibrillation?Marino Convertino, Riccardo Pellarin, Marco Catto, et al.Journal of Molecular Biology|February 18, 2006
A molecular dynamics approach to the structural characterization of amyloid aggregationM Cecchini, R Curcio, M Pappalardo, et al.The Journal of Physical Chemistry. B|September 23, 2022
Interactions of Curcumin's Degradation Products with the Aβ42 Dimer: A Computational StudyMaryam Haji Dehabadi, Amedeo Caflisch, Ioana M Ilie, et al.ACS Medicinal Chemistry Letters|June 6, 2014
Discovery of a novel chemotype of tyrosine kinase inhibitors by fragment-based docking and molecular dynamicsHongtao Zhao, Jing Dong, Karine Lafleur, et al.Computational and Structural Biotechnology Journal|August 11, 2022
Molecular dynamics analysis of the structural properties of the transglutaminases of Kutzneria albida and Streptomyces mobaraensisDeborah Giordano, Cassiano Langini, Amedeo Caflisch, et al.Journal of Chemical Information and Modeling|February 20, 2025
A FAIR-Compliant Management Solution for Molecular Simulation TrajectoriesAndreas Vitalis, Steffen Winkler, Yang Zhang, et al.Physical Review Letters|September 4, 2008
Optimal capping layer thickness for stacked quantum dotsX B Niu, Y-J Lee, R E Caflisch, et al.European Journal of Medicinal Chemistry|August 25, 2017
Discovery of BAZ2A bromodomain ligandsDimitrios Spiliotopoulos, Eike-Christian Wamhoff, Graziano Lolli, et al.Pageof 6,903