Publikationen von M. Aldeghi
Alle Typen
Zeitschriftenartikel (6)
1.
Zeitschriftenartikel
16 (11), S. 1237-1245 (2020)
Structural basis for antibiotic action of the B1 antivitamin 2′-methoxy-thiamine. Nature Chemical Biology 2.
Zeitschriftenartikel
34 (5), S. 601 - 633 (2020)
The SAMPL6 SAMPLing challenge: Assessing the reliability and efficiency of binding free energy calculations. Journal of Computer-Aided Molecular Design 3.
Zeitschriftenartikel
11 (4), S. 1140 - 1152 (2020)
Large scale relative protein ligand binding affinities using non-equilibrium alchemy. Chemical Science 4.
Zeitschriftenartikel
5 (8), S. 1468 - 1474 (2019)
Predicting kinase inhibitor resistance: Physics-based and data-driven approaches. ACS Central Science 5.
Zeitschriftenartikel
10 (1), 925 (2019)
A molecular mechanism for transthyretin amyloidogenesis. Nature Communications 6.
Zeitschriftenartikel
4 (12), S. 1708 - 1718 (2018)
Accurate estimation of ligand binding affinity changes upon protein mutation. ACS Central Science Buchkapitel (1)
7.
Buchkapitel
Accurate calculation of free energy changes upon amino acid mutation. In: Computational Methods in Protein Evolution, S. 19 - 47 (Hg. Sikosek, T.). Springer Nature, New York (2019)