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Chemistry (Weinheim an Der Bergstrasse, Germany)|January 24, 2006
Density functional studies on the Nazarov reaction involving cyclic systemsAndrea Cavalli, Matteo Masetti, Maurizio Recanatini, et al.Biophysical Journal|December 18, 2014
Characterization of the conformational fluctuations in the Josephin domain of ataxin-3Domenico Sanfelice, Alfonso De Simone, Andrea Cavalli, et al.FEMS Immunology and Medical Microbiology|October 23, 2009
Complementary medicinal chemistry-driven strategies toward new antitrypanosomal and antileishmanial lead drug candidatesAndrea Cavalli, Federica Lizzi, Salvatore Bongarzone, et al.International Journal of Molecular Sciences|May 31, 2018
Structural Biology of STAT3 and Its Implications for Anticancer Therapies DevelopmentJacopo Sgrignani, Maura Garofalo, Milos Matkovic, et al.Journal of the American Chemical Society|December 11, 2008
Protein conformational transitions: the closure mechanism of a kinase explored by atomistic simulationsAnna Berteotti, Andrea Cavalli, Davide Branduardi, et al.Cells|April 3, 2021
Glomerular Macrophages in Human Auto- and Allo-Immune NephritisSolange Moll, Andrea Angeletti, Leonardo Scapozza, et al.Journal of Chemical Information and Modeling|October 11, 2022
De Novo Drug Design Using Reinforcement Learning with Graph-Based Deep Generative ModelsSara Romeo Atance, Juan Viguera Diez, Ola Engkvist, et al.Molecular Informatics|February 5, 2022
Prediction of the Chemical Context for Buchwald-Hartwig Coupling ReactionsSamuel Genheden, Agnes Mårdh, Gustav Lahti, et al.The Journal of Chemical Physics|May 4, 2021
Multi-body effects in a coarse-grained protein force fieldJiang Wang, Nicholas Charron, Brooke Husic, et al.Physical Review. E|June 19, 2026
Consistent projection of Langevin dynamics: Preserving thermodynamics and kinetics in coarse-grained modelsVahid Nateghi, Lara Neureither, Selma Moqvist, et al.Pageof 44