Maxim Totrov

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 4

Top Topics

Molecular Docking

Resistance Training

Single Molecule

Top Venues

Journal of chemical theory and computation

Journal of chemical information and modeling

Journal of computer-aided molecular design

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

Publications

Eugene Raush, Ruben Abagyan, Maxim Totrov
Efficient Generation of Conformer Ensembles Using Internal Coordinates and a Generative Directional Graph Convolution Neural Network. Journal of chemical theory and computation (2024)
Eugene Raush, Ruben Abagyan, Maxim Totrov
Efficient Generation of Conformer Ensembles Using Internal Coordinates and a Generative Directional Graph Convolution Neural Network. Journal of chemical theory and computation 20 (9) (2024)
Eugene Raush, Ruben Abagyan, Maxim Totrov
Graph-Convolutional Neural Net Model of the Statistical Torsion Profiles for Small Organic Molecules. Journal of chemical information and modeling (2022)
Polo C-H Lam, Ruben Abagyan, Maxim Totrov
Macrocycle modeling in ICM: benchmarking and evaluation in D3R Grand Challenge 4. Journal of computer-aided molecular design 33 (12) (2019)