Alexey Ishchenko

Lessons in PROTAC Design from Selective Degradation with a Promiscuous Warhead

Daniel P. Bondeson, Blake E. Smith, George M. Burslem et al. · Cell chemical biology · 2017 · 901 citations · Full text

Engineering, Bioengineering, Biomolecular Engineering +13

SMall Molecule Growth 2001 (SMoG2001):  An Improved Knowledge-Based Scoring Function for Protein−Ligand Interactions

Alexey Ishchenko, Eugene I. Shakhnovich · Journal of Medicinal Chemistry · 2002 · 155 citations · Full text

Pharmacy, Chemistry, Medicinal Chemistry +17

Combinatorial computational method gives new picomolar ligands for a known enzyme

Bartosz A. Grzybowski, Alexey Ishchenko, Chu‐Young Kim et al. · Proceedings of the National Academy of Sciences · 2002 · 79 citations · Full text

Pharmacy, Biochemistry, Medicinal Chemistry +16

SMoG:  de Novo Design Method Based on Simple, Fast, and Accurate Free Energy Estimates. 2. Case Studies in Molecular Design

Robert S. DeWitte, Alexey Ishchenko, Eugene I. Shakhnovich · Journal of the American Chemical Society · 1997 · 69 citations

Pharmacy, Medicinal Chemistry, Computational Chemistry +14

A highly accurate metadynamics-based Dissociation Free Energy method to calculate protein–protein and protein–ligand binding potencies

Jing Wang, Alexey Ishchenko, Wei Zhang et al. · Scientific Reports · 2022 · 53 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +15