Ricky B. Nellas

Potential Inhibitors of Galactofuranosyltransferase 2 (GlfT2): Molecular Docking, 3D-QSAR, and In Silico ADMETox Studies

Christopher Llynard D. Ortiz, Gladys C. Completo, Ruel C. Nacario et al. · Scientific Reports · 2019 · 88 citations · Full text

Machine Learning for Predicting Electron Transfer Coupling

Chun-I Wang, Mac Kevin E. Braza, Gil C. Claudio et al. · The Journal of Physical Chemistry A · 2019 · 65 citations

An Aggregation-Volume-Bias Monte Carlo Investigation on the Condensation of a Lennard-Jones Vapor below the Triple Point and Crystal Nucleation in Cluster Systems:  An In-Depth Evaluation of the Classical Nucleation Theory

Bin Chen, Hyun-Mi Kim, Samuel J. Keasler et al. · The Journal of Physical Chemistry B · 2008 · 56 citations

Mapping Allostery through Computational Glycine Scanning and Correlation Analysis of Residue–Residue Contacts

Quentin R. Johnson, Richard J. Lindsay, Ricky B. Nellas et al. · Biochemistry · 2015 · 47 citations · Full text

Probing the Nucleation Mechanism for the Binary <i>n</i>-Nonane/1-Alcohol Series with Atomistic Simulations

Ricky B. Nellas, Matthew E. McKenzie, Bin Chen · The Journal of Physical Chemistry B · 2006 · 29 citations