Kirill Shmilovich

Publication Activity (10 Years)

Years Active: 2022-2023
Publications (10 Years): 5

Top Topics

Magnetic Resonance Imaging

Depressive Symptoms

Health Information

Top Venues

The journal of physical chemistry. A

Journal of chemical theory and computation

Journal of chemical information and modeling

This page only lists publications with an associated author ORCID identifier.

Publications

Kirill Shmilovich, Andrew L Ferguson
Girsanov Reweighting Enhanced Sampling Technique (GREST): On-the-Fly Data-Driven Discovery of and Enhanced Sampling in Slow Collective Variables. The journal of physical chemistry. A (2023)
Kirill Shmilovich, Benson Chen, Theofanis Karaletsos, Mohammad M Sultan
DEL-Dock: Molecular Docking-Enabled Modeling of DNA-Encoded Libraries. Journal of chemical information and modeling (2023)
Michael S Jones, Kirill Shmilovich, Andrew L Ferguson
DiAMoNDBack: Diffusion-Denoising Autoregressive Model for Non-Deterministic Backmapping of Cα Protein Traces. Journal of chemical theory and computation (2023)
Kirill Shmilovich, Devin Willmott, Ivan Batalov, Mordechai Kornbluth, Jonathan Mailoa, J Zico Kolter
Orbital Mixer: Using Atomic Orbital Features for Basis-Dependent Prediction of Molecular Wavefunctions. Journal of chemical theory and computation 18 (10) (2022)
Kirill Shmilovich, Marc Stieffenhofer, Nicholas E Charron, Moritz Hoffmann
Temporally Coherent Backmapping of Molecular Trajectories From Coarse-Grained to Atomistic Resolution. The journal of physical chemistry. A 126 (48) (2022)