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Theoretical chemistry of biomolecules. Particular areas of interest include molecular dynamics simulations of proteins and nucleic acids; electronic structure calculations of transition-metal complexes that model active sites in metalloenzymes; development and application of methods for NMR structure determination; ligand-protein and ligand-nucleic acid docking and computational drug design.
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论文共 540 篇作者统计合作学者相似作者
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Fabian Juen, David Glänzer, Raphael Plangger,Valentina Kugler,Jakob Fleischmann,Eduard Stefan,David A Case,Helena Kovacs,Theodore Kwaku Dayie,Christoph Kreutz
Angewandte Chemie International Editionno. 9 (2024): e202316273-e202316273
Fabian Juen, David Glaenzer, Raphael Plangger,Valentina Kugler,Jakob Fleischmann,Eduard Stefan,David A. Case,Helena Kovacs,Theodore Kwaku Dayie,Christoph Kreutz
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2024)
Nature Communicationsno. 1 (2023): 1-13
JOURNAL OF CHEMICAL INFORMATION AND MODELINGno. 1 (2023): 18-25
Methods in enzymology (2023): 145-168
PROTEIN SCIENCEno. 12 (2023)
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David A Case,Hasan Metin Aktulga, Kellon Belfon, David S Cerutti, G Andrés Cisneros,Vinícius Wilian D Cruzeiro,Negin Forouzesh,Timothy J Giese,Andreas W Götz,Holger Gohlke,Saeed Izadi,Koushik Kasavajhala,
Journal of chemical information and modeling (2023)
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David A. Case, Hasan Metin Aktulga, Kellon Belfon,David S. Cerutti, G. Andrés Cisneros, Vinícius Wilian D. Cruzeiro, Negin Forouzesh,Timothy J. Giese,Andreas W. Götz, Holger Gohlke, Saeed Izadi,Koushik Kasavajhala,
J. Chem. Inf. Model.no. 20 (2023): 6183-6191
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