Dr. Ricky B. Nellas

Position: Professor

Education: Ph.D. Chemistry, Louisiana State University, Baton Rouge, LA;

                   B.S. Chemistry, UP Los Baños 

Email: emailnellas                                                                                                                           



Joint Postdoctoral Research Associate, University of Tennessee Knoxville and Oak Ridge National Laboratory




Multicomponent atmospheric nucleation

Aggregation of biomolecular and supramolecular systems of medical relevance

Complex solvation in advance material design and protein engineering

Simulations of alien atmospheric and biochemical systems

Bioenergy-related projects: Degradation of cellulosic material

Force-field development

Computer-Aided Drug Design



Richard J. Lindsay, Quentin R. Johnson, Wilfredo Evangelista, Ricky B. Nellas, and Tongye Shen, DMSO enhanced conformational switch of an interfacial enzyme. Biopolymers. 2016 July 2016. DOI: 10.1002/bip.22924.

Alexander K. Clarck, J. Heath Wilder, Aaron W. Grayson, Quentin R. Johnson, Richard J. Lindsay, Ricky B. Nellas, Elias J. Fernandez, and Tongye Shen, The Promiscuity of Allosteric Regulation of Nuclear Receptors by Retinoid X Receptor. The Journal of Physical Chemistry B. 2016 Aug 25; 120(33): 8338-8345.

Quentin R. Johnson, Richard J. Lindsay, Ricky B. Nellas, and Tongye Shen, Pressure induced conformational switch of an interfacial protein lipase. Proteins. 2016 Jun; 84(6): 820-827.

Quentin R. Johnson, Richard J. Lindsay, Ricky B. Nellas, Elias J. Fernandez, and Tongye Shen, “Mapping Allostery through Computational Glycine Scanning and Correlation Analysis of Residue-Residue Contacts” Biochemistry, 2015, Feb 6 Epub.

Quentin R. Johnson, Richard J. Lindsay, Sherin Raval, Jeremy Dobbs, Ricky B. Nellas, and Tongye Shen, “Effects of Branched O-Glycosylation on a Semiflexible Peptide Linker” J. Phys. Chem. B, 2014, 118, 2050-2057.

Tongye Shen, Xianghong Qi, and Ricky B. Nellas, “Nucleation Dynamics of Active Particles” J. Phys. Chem. B, 2013, 117, 12844-12849.

Ricky B. Nellas, Quentin R. Johnson, and Tongye Shen, “Solvent-induced α- to 310-helix transition of an amphiphilic peptide” Biochemistry, 2013, 52, 7137–7144.

Xianghong Qi, Ricky B. Nellas, Matthew H. Russell, Amber N. Bible, Gladys Alexandre, and Tongye Shen, “Swimming Motility Plays a Key Role in the Stochastic Dynamics of Cell Clumping” Phys. Biol., 2013, 10, 026005:1-9.

Quentin Johnson, Ricky B. Nellas, and Tongye Shen, “Solvent-dependent gating motions of an extremophilic lipase from Pseudomonas aeruginosa” Biochemistry, 2012, 51, 6238-6245.

Ricky B. Nellas, Mary M. Glover, Donald Hamelberg, and Tongye Shen (Has been selected for the April 15, 2012 issue of Virtual Journal of Biological Physics Research), “High-Pressure Effect on Peptide Dynamics” J. Chem. Phys., 2012, 136, 145103.

Jianzhuang Yao, Ricky B. Nellas, Mary M. Glover, and Tongye Shen,“Stability and Sugar Recognition Ability of Ricin-like Carbohydrate Binding Domains” Biochemistry, 2011, 50, 4097–4104.

Ricky B. Nellas, Samuel J. Keasler, J. Ilja Siepmann, and Bin Chen, “Exploring the discrepancies between experiment, theory, and simulation for the homogeneous gas-to-liquid nucleation of 1-pentanol” J. Chem. Phys., 2010, 132, 164517.

Bin Chen, Ricky B. Nellas and Samuel Keasler, “Fractal aggregates in protein crystal nucleation” J. Phys. Chem. B, 2008, 112, 4725.

Bin Chen, Hyunmi Kim, Samuel J. Keasler, and Ricky B. Nellas, “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” J. Phys. Chem. B, 2008, 112, 4067.

Ricky B. Nellas, Samuel J. Keasler, and Bin Chen, “Molecular Content and Structure of Aqueous Organic Nanodroplets from the Vapor-Liquid Nucleation Study of the Water/n-Nonane/1-Alcohol Series” J. Phys. Chem. A, 2008, 112, 2930.

Ricky B. Nellas and Bin Chen (Inside Cover), “Towards understanding the nucleation mechanism for multi-component systems: An atomistic simulation of the ternary nucleation of water/n-nonane/1-butanol” Phys. Chem. Chem. Phys., 2008, 10, 506.

Ricky B. Nellas, Bin Chen, and J. Ilja Siepmann, “Insights from the Atomistic Simulations of a Ternary Nucleating System”17th International Conference on Nucleation and Atmospheric Aerosols, Galway, Ireland., Eds. O’Dowd, C.D. and Wagner, P., 2007, 306.

Ricky B. Nellas, Bin Chen, and J. Ilja Siepmann (Cover Page) “Dumbbells and onions in ternary nucleation” Phys. Chem. Chem. Phys., 2007, 9, 2765.

Samuel J. Keasler, Ricky B. Nellas, and Bin Chen, “Water mediated attraction between repulsive ions: A cluster-based simulation approach”, J. Chem. Phys., 2006, 125, 14520.

Ricky B. Nellas, Matthew E. McKenzie, and Bin Chen, “Probing the nucleation mechanism for the binary n-nonane/1-alcohol series with atomistic simulations”, J. Phys. Chem. B, 2006, 110, 18619.

Ricky B. Nellas, et. al., [6,6’-Bis(chloromethyl)-2,2’-bipyridyl]dichlorocobalt(II). Acta Crystallographica Section E, 2006, E62: m1522-m1523.

Ricky B. Nellas, and Nieva T. Librojo-Basilio, “Water Quality Assessment of the Groundwater of Barangay Marinig (Purok 1, 2 and 3), Cabuyao, Laguna” 1999 (unpublished undergraduate thesis).