Kirill Shmilovich

According to our database, Kirill Shmilovich authored at least 5 papers between 2020 and 2026.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2026

Evaluating the Progression of Large Language Model Capabilities for Small-Molecule Drug Design.

Shriram Chennakesavalu, Kirill Shmilovich, Hayley Weir, Colin A. Grambow, John Bradshaw, Patricia Suriana, Chen Cheng, Kangway V. Chuang

CoRR, April, 2026

Struct2Query: Structure-Guided Virtual Screening via Composite-Molecule ROCS Queries Derived from Protein Pocket Similarity.

Kirill Shmilovich, Patricia Suriana, Vishnu Sresht

J. Chem. Inf. Model., 2026

2023

DEL-Dock: Molecular Docking-Enabled Modeling of DNA-Encoded Libraries.

Kirill Shmilovich, Benson Chen, Theofanis Karaletsos, Mohammad M. Sultan

J. Chem. Inf. Model., May, 2023

DiAMoNDBack: Diffusion-denoising Autoregressive Model for Non-Deterministic Backmapping of Cα Protein Traces.

Michael S. Jones, Kirill Shmilovich, Andrew L. Ferguson

CoRR, 2023

2020

Discovery of Self-Assembling π-Conjugated Peptides by Active Learning-Directed Coarse-Grained Molecular Simulation.

Kirill Shmilovich, Rachael A. Mansbach, Hythem Sidky, Olivia E. Dunne, Sayak Subhra Panda, John D. Tovar, Andrew L. Ferguson

CoRR, 2020