Alexey Aleksandrov

Mechanism and dynamics of fatty acid photodecarboxylase

Damien Sorigué, Kyprianos Hadjidemetriou, Stéphanie Blangy et al. · Science · 2021 · 214 citations · Full text

Life Sciences, Biochemistry, Catalysis +16

An Overview of Electrostatic Free Energy Computations for Solutions and Proteins

Yen-Lin Lin, Alexey Aleksandrov, Thomas Simonson et al. · Journal of Chemical Theory and Computation · 2014 · 141 citations

Natural Sciences, Biophysics, Physics +17

Additive CHARMM36 Force Field for Nonstandard Amino Acids

Anastasia Croitoru, Sang‐Jun Park, Anmol Kumar et al. · Journal of Chemical Theory and Computation · 2021 · 134 citations · Full text

Life Sciences, Biochemistry, Chemistry +17

Additive <scp>CHARMM</scp> force field for naturally occurring modified ribonucleotides

You Xu, Kenno Vanommeslaeghe, Alexey Aleksandrov et al. · Journal of Computational Chemistry · 2016 · 92 citations · Full text

Natural Sciences, Molecular Biology, Computational Chemistry +16

Molecular Dynamics Simulations Show That Conformational Selection Governs the Binding Preferences of Imatinib for Several Tyrosine Kinases

Alexey Aleksandrov, Thomas Simonson · Journal of Biological Chemistry · 2010 · 80 citations · Full text

Life Sciences, Biochemistry, Molecular Biology +17