Lena Simine

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 13

Top Topics

Molecular Dynamics Simulations

Magnetic Nanoparticles

Top Venues

The journal of physical chemistry letters

The journal of physical chemistry. B

Journal of chemical information and modeling

The Journal of chemical physics

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

Publications

Tao Liu, Lena Simine
DeltaGzip: Computing Biopolymer-Ligand Binding Affinity via Kolmogorov Complexity and Lossless Compression. Journal of chemical information and modeling (2024)
Tao Liu, Lena Simine
DeltaGzip: Computing Biopolymer-Ligand Binding Affinity via Kolmogorov Complexity and Lossless Compression. Journal of chemical information and modeling 64 (14) (2024)
Yu Wang, Lena Simine
Solving the Wigner equation for chemically relevant scenarios: Dynamics in 2D. The Journal of chemical physics 158 (11) (2023)
Siba Moussa, Michael Kilgour, Clara Jans, Alex Hernandez-Garcia, Miroslava Cuperlovic-Culf, Yoshua Bengio, Lena Simine
Diversifying Design of Nucleic Acid Aptamers Using Unsupervised Machine Learning. The journal of physical chemistry. B (2022)
Siba Moussa, Michael Kilgour, Clara Jans, Alex Hernandez-Garcia, Miroslava Cuperlovic-Culf, Yoshua Bengio, Lena Simine
Diversifying Design of Nucleic Acid Aptamers Using Unsupervised Machine Learning. The journal of physical chemistry. B 127 (1) (2022)
Antonio J Garzón-Ramírez, Nicolas Gastellu, Lena Simine
Optoelectronic Current through Unbiased Monolayer Amorphous Carbon Nanojunctions. The journal of physical chemistry letters 13 (4) (2022)
Siba Moussa, Michael Kilgour, Clara Jans, Alex Hernandez-Garcia, Miroslava Cuperlovic-Culf, Yoshua Bengio, Lena Simine
Diversifying Design of Nucleic Acid Aptamers Using Unsupervised Machine Learning. The journal of physical chemistry. B 127 (1) (2022)
Nicolas Gastellu, Michael Kilgour, Lena Simine
Electronic Conduction through Monolayer Amorphous Carbon Nanojunctions. The journal of physical chemistry letters 13 (1) (2022)
Siba Moussa, Michael Kilgour, Clara Jans, Alex Hernandez-Garcia, Miroslava Cuperlovic-Culf, Yoshua Bengio, Lena Simine
Diversifying Design of Nucleic Acid Aptamers Using Unsupervised Machine Learning. The journal of physical chemistry. B 127 (1) (2022)
Michael Kilgour, Tao Liu, Brandon D Walker, Pengyu Ren, Lena Simine
E2EDNA: Simulation Protocol for DNA Aptamers with Ligands. Journal of chemical information and modeling 61 (9) (2021)
Michael Kilgour, Nicolas Gastellu, David Y T Hui, Yoshua Bengio, Lena Simine
Generating Multiscale Amorphous Molecular Structures Using Deep Learning: A Study in 2D. The journal of physical chemistry letters 11 (20) (2020)
Lena Simine, Heiko Lammert, Li Sun, José N Onuchic, Peter J Rossky
Fluorescent Proteins Detect Host Structural Rearrangements via Electrostatic Mechanism. Journal of the American Chemical Society 140 (4) (2018)
Lena Simine, Peter J Rossky
Relating Chromophoric and Structural Disorder in Conjugated Polymers. The journal of physical chemistry letters 8 (8) (2017)