Search

Categories

Physical Chemistry

(1)

Theoretical and Computational Chemistry

(3)

Content Types

Working Paper

(3)

Keywords

conformational space

Authors

3 results in Keywords: conformational space

Theoretical and Computational Chemistry

Explore protein conformational space with variational autoencoder

Hao Tian, Xi Jiang, Francesco Trozzi, Sian Xiao, Eric Larson, Peng Tao

Version 1 posted 23 September 2021

306

Downloads

Physical Chemistry

WS22 database: combining Wigner Sampling and geometry interpolation towards configurationally diverse molecular datasets

Max Pinheiro Jr, Shuang Zhang, Pavlo O. Dral, Mario Barbatti

Version 1 posted 19 September 2022

367

Downloads

Theoretical and Computational Chemistry

Understanding and Quantifying Molecular Flexibility: Torsion Angular Bin Strings

Jessica Braun, Paul Katzberger, Gregory A. Landrum, Sereina Riniker

Version 1 posted 23 August 2024

292

Downloads