Stefan Fischer
Interdisciplinary Center for Scientific Computing
134 Papers
1.5K Citations
Stefan Fischer is an academic researcher from Interdisciplinary Center for Scientific Computing. The author has contributed to research in topics: Tropomyosin & Actin. The author has an hindex of 40, co-authored 123 publications. Previous affiliations of Stefan Fischer include Hoffmann-La Roche & German Cancer Research Center.
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Papers
All-atom empirical potential for molecular modeling and dynamics studies of proteins.
Alexander D. MacKerell,D. Bashford,M. Bellott,Roland L. Dunbrack,Jeffrey D. Evanseck,Martin J. Field,Stefan Fischer,Jiali Gao,H. Guo,S. Ha,Diane Joseph-McCarthy,L. Kuchnir,K. Kuczera,F. T. K. Lau,C. Mattos,Stephen W. Michnick,Thien H. Ngo,D. T. Nguyen,B. Prodhom,W. E. Reiher,Benoît Roux,M. Schlenkrich,Jeremy C. Smith,Roland H. Stote,John E. Straub,Masakatsu Watanabe,J. Wiórkiewicz-Kuczera,D. Yin,Martin Karplus +28 more
TL;DR: The results demonstrate that use of ab initio structural and energetic data by themselves are not sufficient to obtain an adequate backbone representation for peptides and proteins in solution and in crystals.
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.
Simulation of activation free energies in molecular systems
TL;DR: In this article, a method for determining activation free energies in complex molecular systems is presented, which relies on knowledge of the minimum energy path and bases the activation free energy calculation on moving along this path from a minimum to a saddle point.
1.3K
Transition Networks for Modeling the Kinetics of Conformational Change in Macromolecules
Frank Noé,Stefan Fischer +1 more
TL;DR: Dynamics-based networks, also called Markov State Models, can be interpreted and adaptively improved using statistical concepts, such as the mean first passage time, reactive flux and sampling error analysis, which makes transition networks powerful tools for understanding large-scale conformational changes.
502
The Degradation of Polysorbates 20 and 80 and its Potential Impact on the Stability of Biotherapeutics
Ravuri S. K. Kishore,Sylvia Kiese,Stefan Fischer,Astrid Pappenberger,Ulla Grauschopf,Hanns-Christian Mahler +5 more
TL;DR: End-of-shelf-life shaking of protein formulations showed that the stability of various monoclonal antibodies was, however, not affected, and degradation of polysorbates did not impact the Stability of the different proteins tested in pharmaceutically relevant temperature and storage conditions.
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