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Amedeo Caflisch
Researcher at University of Zurich
Publications - 305
Citations - 24147
Amedeo Caflisch is an academic researcher from University of Zurich. The author has contributed to research in topics: Docking (molecular) & Protein folding. The author has an hindex of 72, co-authored 287 publications receiving 21228 citations. Previous affiliations of Amedeo Caflisch include Fundamental Research on Matter Institute for Atomic and Molecular Physics & University of Chicago.
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Journal ArticleDOI
CHARMM: the biomolecular simulation program.
Bernard R. Brooks,Charles L. Brooks,Alexander D. MacKerell,Lennart Nilsson,Robert J. Petrella,Benoît Roux,Youngdo Won,Georgios Archontis,Christian Bartels,Stefan Boresch,Amedeo Caflisch,Leo S. D. Caves,Qiang Cui,Aaron R. Dinner,Michael Feig,Stefan Fischer,Jiali Gao,Milan Hodošček,Wonpil Im,K. Kuczera,Themis Lazaridis,Jianpeng Ma,V. Ovchinnikov,Emanuele Paci,Richard W. Pastor,Carol Beth Post,Jingzhi Pu,M. Schaefer,Bruce Tidor,Richard M. Venable,H. L. Woodcock,Xiongwu Wu,Wei Yang,Darrin M. York,Martin Karplus,Martin Karplus +35 more
TL;DR: An overview of the CHARMM program as it exists today is provided with an emphasis on developments since the publication of the original CHARMM article in 1983.
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The robustness of pollination networks to the loss of species and interactions: a quantitative approach incorporating pollinator behaviour.
Christopher N. Kaiser-Bunbury,Stefanie Muff,Jane Memmott,Christine B. Müller,Amedeo Caflisch +4 more
TL;DR: Tolerance of generalized networks to species extinctions was high in the random removal scenario, with an increase in network stability if species formed new interactions, however, Anthropogenic disturbance that promote the extinction of the strongest interactors might induce a sudden collapse of pollination networks.
Journal ArticleDOI
Protein structure-based drug design: from docking to molecular dynamics.
Paweł Śledź,Amedeo Caflisch +1 more
TL;DR: In this review, recent advancements in applications of ligand docking tools and molecular dynamics simulations to ligand identification and optimization are highlighted.
Journal ArticleDOI
Phenylalanine assembly into toxic fibrils suggests amyloid etiology in phenylketonuria.
Lihi Adler-Abramovich,Lilach Vaks,Ohad Carny,Dorit Trudler,Andrea Magno,Amedeo Caflisch,Dan Frenkel,Ehud Gazit +7 more
TL;DR: It is demonstrated that at pathological concentrations, phenylalanine self-assembles into fibrils with amyloid-like morphology and well-ordered electron diffraction, suggesting a new amyloidsosis-like etiology for PKU.
Journal ArticleDOI
The protein folding network.
Francesco Rao,Amedeo Caflisch +1 more
TL;DR: The conformation space of a 20 residue antiparallel beta-sheet peptide, sampled by molecular dynamics simulations, is mapped to a network and provides a basis for understanding the heterogeneity of the TS and denatured state ensemble as well as the existence of multiple pathways.