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1دورية أكاديمية
المؤلفون: Lea Seep, Anne Bonin, Katharina Meier, Holger Diedam, Andreas H. Göller
المصدر: Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-22 (2021)
مصطلحات موضوعية: Conformer sampling, Molecular dynamics, Conformer ensemble, Information technology, T58.5-58.64, Chemistry, QD1-999
وصف الملف: electronic resource
Relation: https://doaj.org/toc/1758-2946
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2دورية أكاديمية
المؤلفون: Seep, Lea, Bonin, Anne, Meier, Katharina, Diedam, Holger, Göller, Andreas H.Aff1
المصدر: Journal of Cheminformatics. 13(1)
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3
المؤلفون: Katharina Meier, Andreas H. Göller, Holger Diedam, Anne Bonin, Lea Seep
المصدر: Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-22 (2021)
Journal of Cheminformaticsمصطلحات موضوعية: Information technology, Molecular dynamics, Library and Information Sciences, 01 natural sciences, 03 medical and health sciences, Conformer sampling, 0103 physical sciences, Cluster (physics), Statistical physics, Physical and Theoretical Chemistry, QD1-999, Conformational isomerism, 030304 developmental biology, Physics, Quantitative Biology::Biomolecules, 0303 health sciences, Mahalanobis distance, 010304 chemical physics, Charge (physics), T58.5-58.64, Computer Graphics and Computer-Aided Design, Conformer ensemble, Computer Science Applications, Chemistry, Solvent models, Intramolecular force, Metric (mathematics), Research Article