Giulio Rastelli

Fast and accurate predictions of binding free energies using MM‐PBSA and MM‐GBSA

Giulio Rastelli, Alberto Del Río, Gianluca Degliesposti et al. · Journal of Computational Chemistry · 2009 · 801 citations · Full text

On the Integration of In Silico Drug Design Methods for Drug Repurposing

E. Vila, Luca Pinzi, Noé Sturm et al. · Frontiers in Pharmacology · 2017 · 230 citations · Full text

Crystal Structure and Molecular Modeling of 17-DMAG in Complex with Human Hsp90

Joseph M. Jez, Julian C.‐H. Chen, Giulio Rastelli et al. · Chemistry & Biology · 2003 · 194 citations · Full text

Crystal Structure, Protein Function, Engineering +6

Synthesis and biological activities of novel 17-aminogeldanamycin derivatives

Zong‐Qiang Tian, Yaoquan Liu, Dan Zhang et al. · Bioorganic & Medicinal Chemistry · 2004 · 151 citations

Novel 17-Aminogeldanamycin Derivatives, Pharmacology, Pharmaceutical Chemistry +2

Interaction of pyrimethamine, cycloguanil, WR99210 and their analogues with Plasmodium falciparum dihydrofolate reductase: structural basis of antifolate resistance

Giulio Rastelli, Worachart Sirawaraporn, Pornthep Sompornpisut et al. · Bioorganic & Medicinal Chemistry · 2000 · 124 citations · Full text

Drug Resistance Analysis, Aldo-keto Reductase, Biochemistry +10