| Potential Inhibitors of Galactofuranosyltransferase 2 (GlfT2): Molecular Docking, 3D-QSAR, and In Silico ADMETox Studies CLD Ortiz, GC Completo, RC Nacario, RB Nellas Scientific reports 9 (1), 17096, 2019 | 77 | 2019 |
| 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 … B Chen, H Kim, SJ Keasler, RB Nellas The Journal of Physical Chemistry B 112 (13), 4067-4078, 2008 | 67 | 2008 |
| Machine learning for predicting electron transfer coupling CI Wang, MKE Braza, GC Claudio, RB Nellas, CP Hsu The Journal of Physical Chemistry A 123 (36), 7792-7802, 2019 | 52 | 2019 |
| Mapping allostery through computational glycine scanning and correlation analysis of Residue–Residue contacts QR Johnson, RJ Lindsay, RB Nellas, EJ Fernandez, T Shen Biochemistry 54 (7), 1534-1541, 2015 | 43 | 2015 |
| Probing the nucleation mechanism for the binary n-nonane/1-alcohol series with atomistic simulations RB Nellas, ME McKenzie, B Chen The Journal of Physical Chemistry B 110 (37), 18619-18628, 2006 | 35 | 2006 |
| Dumbbells and onions in ternary nucleation RB Nellas, B Chen, JI Siepmann Physical Chemistry Chemical Physics 9 (22), 2779-2781, 2007 | 30 | 2007 |
| The promiscuity of allosteric regulation of nuclear receptors by retinoid X receptor AK Clark, JH Wilder, AW Grayson, QR Johnson, RJ Lindsay, RB Nellas, ... The Journal of Physical Chemistry B 120 (33), 8338-8345, 2016 | 24 | 2016 |
| Water mediated attraction between repulsive ions: A cluster-based simulation approach SJ Keasler, RB Nellas, B Chen The Journal of chemical physics 125 (14), 2006 | 24 | 2006 |
| Pressure‐induced conformational switch of an interfacial protein QR Johnson, RJ Lindsay, RB Nellas, T Shen Proteins: Structure, Function, and Bioinformatics 84 (6), 820-827, 2016 | 23 | 2016 |
| Nucleation and atmospheric aerosols: 17th international conference, Galway, Ireland, 2007 CD O'Dowd, PE Wagner Springer Science & Business Media, 2007 | 23 | 2007 |
| Molecular Content and Structure of Aqueous Organic Nanodroplets from the Vapor−Liquid Nucleation Study of the Water/n-Nonane/1-Alcohol Series RB Nellas, SJ Keasler, B Chen The Journal of Physical Chemistry A 112 (13), 2930-2939, 2008 | 21 | 2008 |
| Solvent-Induced α- to 310-Helix Transition of an Amphiphilic Peptide RB Nellas, QR Johnson, T Shen Biochemistry 52 (40), 7137-7144, 2013 | 20 | 2013 |
| Stability and sugar recognition ability of ricin-like carbohydrate binding domains J Yao, RB Nellas, MM Glover, T Shen Biochemistry 50 (19), 4097-4104, 2011 | 19 | 2011 |
| Exploring the discrepancies between experiment, theory, and simulation for the homogeneous gas-to-liquid nucleation of 1-pentanol RB Nellas, SJ Keasler, JI Siepmann, B Chen The Journal of chemical physics 132 (16), 2010 | 19 | 2010 |
| Ligand-Induced Conformational Dynamics of A Tyramine Receptor from Sitophilus oryzae MKE Braza, JDN Gazmen, ET Yu, RB Nellas Scientific reports 9 (1), 16275, 2019 | 17 | 2019 |
| Effects of truncation of the peptide chain on the secondary structure and bioactivities of palmitoylated anoplin RL Salas, JKDL Garcia, ACR Miranda, WL Rivera, RB Nellas, ... Peptides 104, 7-14, 2018 | 17 | 2018 |
| Solvent-Dependent Gating Motions of an Extremophilic Lipase from Pseudomonas aeruginosa QR Johnson, RB Nellas, T Shen Biochemistry 51 (31), 6238-6245, 2012 | 17 | 2012 |
| Fractal aggregates in protein crystal nucleation B Chen, RB Nellas, SJ Keasler The Journal of Physical Chemistry B 112 (15), 4725-4730, 2008 | 17 | 2008 |
| Towards understanding the nucleation mechanism for multi-component systems: an atomistic simulation of the ternary nucleation of water/n-nonane/1-butanol RB Nellas, B Chen Physical Chemistry Chemical Physics 10 (4), 506-514, 2008 | 17 | 2008 |
| The interaction and mechanism of monoterpenes with tyramine receptor (SoTyrR) of rice weevil (Sitophilus oryzae) AB Ocampo, MKE Braza, RB Nellas SN Applied Sciences 2, 1-9, 2020 | 14 | 2020 |