Vı́ctor Guallar

Importance of accurate charges in molecular docking: Quantum mechanical/molecular mechanical (QM/MM) approach

Art E. Cho, Vı́ctor Guallar, B. J. Berne et al. · Journal of Computational Chemistry · 2005 · 410 citations

Life Sciences, Bioinformatics, Biophysics +17

Automated Design of Efficient and Functionally Diverse Enzyme Repertoires

Olga Khersonsky, Rosalie Lipsh‐Sokolik, Ziv Avizemer et al. · Molecular Cell · 2018 · 303 citations · Full text

Life Sciences, Biochemistry, Bioinformatics +14

PELE:  Protein Energy Landscape Exploration. A Novel Monte Carlo Based Technique

Kenneth Borrelli, Andreas Vitalis, Raul Alcantara et al. · Journal of Chemical Theory and Computation · 2005 · 230 citations

Natural Sciences, Biophysics, Chemistry +16

Detection of SARS-CoV-2 in a cat owned by a COVID-19−affected patient in Spain

Joaquím Segalés, Mariona Puig, Jordi Rodon et al. · Proceedings of the National Academy of Sciences · 2020 · 187 citations · Full text

Veterinary Medicine, Infectious Diseases, Veterinary Pathology +17

The unravelling of the complex pattern of tyrosinase inhibition

Batel Deri, M. Kanteev, Mor Goldfeder et al. · Scientific Reports · 2016 · 176 citations · Full text

Life Sciences, Biochemistry, Dermatology +13