☰

Coray M. Colina, Ph.D. - Publications

Affiliations: 
University of Florida, Gainesville, Gainesville, FL, United States 
 1991-2004 Universidad Simón Bolívar 
 2000-2004 North Carolina State University, Raleigh, NC 
 2004-2006 University of North Carolina, Chapel Hill, Chapel Hill, NC 
 2007-2013 Pennsylvania State University, State College, PA, United States 
Area:
Chemical Engineering, Materials Science Engineering
Website:
https://www.chem.ufl.edu/about-all/directory/name/coray-colina/
Tree Info Similar researchers PubMed Report error

80 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Shi K, Li Z, Anstine DM, Tang D, Colina CM, Sholl DS, Siepmann JI, Snurr RQ. Two-Dimensional Energy Histograms as Features for Machine Learning to Predict Adsorption in Diverse Nanoporous Materials. Journal of Chemical Theory and Computation. PMID 36735251 DOI: 10.1021/acs.jctc.2c00798  0.688
2022 Mercado-Montijo J, Anstine DM, Rukmani SJ, Colina CM, Andrew JS. PEGDA hydrogel structure from semi-dilute concentrations: insights from experiments and molecular simulations. Soft Matter. 18: 3565-3574. PMID 35466967 DOI: 10.1039/d1sm01708j  0.336
2021 Kaupbayeva B, Boye S, Munasinghe A, Murata H, Matyjaszewski K, Lederer A, Colina CM, Russell AJ. Molecular Dynamics-Guided Design of a Functional Protein-ATRP Conjugate That Eliminates Protein-Protein Interactions. Bioconjugate Chemistry. PMID 33784809 DOI: 10.1021/acs.bioconjchem.1c00098  0.806
2021 Munasinghe A, Mathavan A, Mathavan A, Lin P, Colina CM. Atomistic insight towards the impact of polymer architecture and grafting density on structure-dynamics of PEGylated bovine serum albumin and their applications. The Journal of Chemical Physics. 154: 075101. PMID 33607915 DOI: 10.1063/5.0038306  0.812
2020 Anstine DM, Strachan A, Colina CM. Effects of an atomistic modeling approach on predicted mechanical properties of glassy polymers via molecular dynamics Modelling and Simulation in Materials Science and Engineering. 28: 025006. DOI: 10.1088/1361-651X/Ab615C  0.479
2020 Anstine DM, Demidov AG, Mendez NF, Morgan WJ, Colina CM. Screening PIM-1 performance as a membrane for binary mixture separation of gaseous organic compounds Journal of Membrane Science. 599: 117798. DOI: 10.1016/J.Memsci.2019.117798  0.318
2020 Rukmani SJ, Anstine DM, Munasinghe A, Colina CM. An Insight into Structural and Mechanical Properties of Ideal‐Networked Poly(Ethylene Glycol)–Peptide Hydrogels from Molecular Dynamics Simulations Macromolecular Chemistry and Physics. 221: 1900326. DOI: 10.1002/Macp.201900326  0.784
2019 Munasinghe A, Baker SL, Lin P, Russell AJ, Colina CM. Structure-function-dynamics of α-chymotrypsin based conjugates as a function of polymer charge. Soft Matter. PMID 31803897 DOI: 10.1039/C9Sm01842E  0.807
2019 Munasinghe A, Mathavan A, Mathavan A, Lin P, Colina CM. PEGylation within a confined hydrophobic cavity of a protein. Physical Chemistry Chemical Physics : Pccp. PMID 31720639 DOI: 10.1039/C9Cp04387J  0.813
2019 Baker SL, Munasinghe A, Kaupbayeva B, Rebecca Kang N, Certiat M, Murata H, Matyjaszewski K, Lin P, Colina CM, Russell AJ. Transforming protein-polymer conjugate purification by tuning protein solubility. Nature Communications. 10: 4718. PMID 31624254 DOI: 10.1038/S41467-019-12612-9  0.802
2019 Rukmani SJ, Lin P, Andrew JS, Colina CM. Molecular Modeling of Complex Cross-Linked Networks of PEGDA Nanogels. The Journal of Physical Chemistry. B. PMID 31038311 DOI: 10.1021/Acs.Jpcb.9B01622  0.512
2019 Munasinghe A, Mathavan A, Mathavan A, Lin P, Colina CM. Molecular Insight into the Protein-Polymer Interactions in N-Terminal PEGylated Bovine Serum Albumin. The Journal of Physical Chemistry. B. PMID 30939013 DOI: 10.1021/Acs.Jpcb.8B12268  0.805
2019 Tang D, Kupgan G, Colina CM, Sholl DS. Rapid Prediction of Adsorption Isotherms of a Diverse Range of Molecules in Hyper-Cross-Linked Polymers The Journal of Physical Chemistry C. 123: 17884-17893. DOI: 10.1021/Acs.Jpcc.9B04413  0.445
2019 Lin P, Colina CM. Molecular simulation of protein–polymer conjugates Current Opinion in Chemical Engineering. 23: 44-50. DOI: 10.1016/J.Coche.2019.02.006  0.592
2018 Ramezanghorbani F, Lin P, Colina CM. Optimizing Protein-Polymer Interactions in a Poly(ethylene glycol) Coarse-Grained Model. The Journal of Physical Chemistry. B. PMID 30106579 DOI: 10.1021/Acs.Jpcb.8B05359  0.631
2018 Baker SL, Munasinghe A, Murata H, Lin P, Matyjaszewski K, Colina CM, Russell AJ. Intramolecular interactions of conjugated polymers mimic molecular chaperones to stabilize protein-polymer conjugates. Biomacromolecules. PMID 30086223 DOI: 10.1021/Acs.Biomac.8B00927  0.809
2018 Kupgan G, Abbott LJ, Hart KE, Colina CM. Modeling Amorphous Microporous Polymers for CO Capture and Separations. Chemical Reviews. PMID 29812911 DOI: 10.1021/Acs.Chemrev.7B00691  0.458
2018 Rukmani SJ, Liyana-Arachchi TP, Hart KE, Colina CM. Ionic-Functionalized Polymers of Intrinsic Microporosity for Gas Separation Applications. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 29553745 DOI: 10.1021/Acs.Langmuir.7B04320  0.413
2018 Alzate-Vargas L, Fortunato ME, Haley B, Li C, Colina CM, Strachan A. Uncertainties in the predictions of thermo-physical properties of thermoplastic polymers via molecular dynamics Modelling and Simulation in Materials Science and Engineering. 26: 065007. DOI: 10.1088/1361-651X/Aace68  0.469
2018 Rukmani SJ, Kupgan G, Anstine DM, Colina CM. A molecular dynamics study of water-soluble polymers: analysis of force fields from atomistic simulations Molecular Simulation. 45: 310-321. DOI: 10.1080/08927022.2018.1531401  0.465
2018 Bezzu CG, Carta M, Ferrari M, Jansen JC, Monteleone M, Esposito E, Fuoco A, Hart K, Liyana-Arachchi TP, Colina CM, McKeown NB. The synthesis, chain-packing simulation and long-term gas permeability of highly selective spirobifluorene-based polymers of intrinsic microporosity Journal of Materials Chemistry A. 6: 10507-10514. DOI: 10.1039/C8Ta02601G  0.38
2018 Demidov AG, Fortunato ME, Colina CM. Update 0.2 to “pysimm: A python package for simulation of molecular systems” Softwarex. 7: 70-73. DOI: 10.1016/J.Softx.2018.02.006  0.351
2018 Kupgan G, Demidov AG, Colina CM. Plasticization behavior in polymers of intrinsic microporosity (PIM-1): A simulation study from combined Monte Carlo and molecular dynamics Journal of Membrane Science. 565: 95-103. DOI: 10.1016/J.Memsci.2018.08.004  0.497
2018 Russell AJ, Baker SL, Colina CM, Figg CA, Kaar JL, Matyjaszewski K, Simakova A, Sumerlin BS. Next generation protein-polymer conjugates Aiche Journal. 64: 3230-3245. DOI: 10.1002/Aic.16338  0.487
2017 Munasinghe A, Lin P, Colina CM. Unraveling Binding Interactions between Human RANKL and Its Decoy Receptor Osteoprotegerin. The Journal of Physical Chemistry. B. PMID 28945380 DOI: 10.1021/Acs.Jpcb.7B06687  0.748
2017 Rose I, Bezzu CG, Carta M, Comesaña-Gándara B, Lasseuguette E, Ferrari MC, Bernardo P, Clarizia G, Fuoco A, Jansen JC, Hart KE, Liyana-Arachchi TP, Colina CM, McKeown NB. Polymer ultrapermeability from the inefficient packing of 2D chains. Nature Materials. PMID 28759030 DOI: 10.1038/Nmat4939  0.448
2017 Posel Z, Svoboda M, Colina CM, Lísal M. Flow and aggregation of rod-like proteins in slit and cylindrical pores coated with polymer brushes: an insight from dissipative particle dynamics. Soft Matter. PMID 28133676 DOI: 10.1039/C6Sm02751B  0.424
2017 Fortunato ME, Colina CM. pysimm: A python package for simulation of molecular systems Softwarex. 6: 7-12. DOI: 10.1016/J.Softx.2016.12.002  0.397
2016 Liyana-Arachchi TP, Sturnfield JF, Colina CM. Ultrathin Molecular-Layer-by-Layer Polyamide Membranes: Insights from Atomistic Molecular Simulations. The Journal of Physical Chemistry. B. PMID 27558460 DOI: 10.1021/Acs.Jpcb.6B02801  0.301
2016 Kupgan G, Liyana-Arachchi TP, Colina CM. Pore size tuning of poly(styrene-co-vinylbenzyl chloride-co-divinylbenzene) hypercrosslinked polymers: Insights from molecular simulations Polymer (United Kingdom). 99: 173-184. DOI: 10.1016/J.Polymer.2016.07.002  0.441
2015 Frentrup H, Hart KE, Colina CM, Müller EA. In Silico Determination of Gas Permeabilities by Non-Equilibrium Molecular Dynamics: CO2 and He through PIM-1. Membranes. 5: 99-119. PMID 25764366 DOI: 10.3390/membranes5010099  0.583
2015 Frentrup H, Hart KE, Colina CM, Müller EA. In silico determination of gas permeabilities by non-equilibrium molecular dynamics: CO2 and He through PIM-1 Membranes. 5: 99-119. DOI: 10.3390/membranes5010099  0.442
2015 Moreno N, Perilla JE, Colina CM, Lísal M. Mucin aggregation from a rod-like meso-scale model Molecular Physics. 113: 898-909. DOI: 10.1080/00268976.2015.1023750  0.304
2015 Zhou X, Huang J, Barr KW, Lin Z, Maya F, Abbott LJ, Colina CM, Svec F, Turner SR. Nanoporous hypercrosslinked polymers containing Tg enhancing comonomers Polymer (United Kingdom). 59: 42-48. DOI: 10.1016/J.Polymer.2014.12.065  0.481
2014 Hart KE, Abbott LJ, Lísal M, Colina CM. Morphology and molecular bridging in comb- and star-shaped diblock copolymers. The Journal of Chemical Physics. 141: 204902. PMID 25429957 DOI: 10.1063/1.4902051  0.357
2014 Hart KE, Colina CM. Ionomers of intrinsic microporosity: in silico development of ionic-functionalized gas-separation membranes. Langmuir : the Acs Journal of Surfaces and Colloids. 30: 12039-48. PMID 25272236 DOI: 10.1021/La5027202  0.405
2014 Fortunato ME, Colina CM. Effects of galactosylation in immunoglobulin G from all-atom molecular dynamics simulations. The Journal of Physical Chemistry. B. 118: 9844-51. PMID 25116858 DOI: 10.1021/Jp504243E  0.346
2014 Abbott LJ, Hughes JE, Colina CM. Virtual synthesis of thermally cross-linked copolymers from a novel implementation of polymatic. The Journal of Physical Chemistry. B. 118: 1916-24. PMID 24502582 DOI: 10.1021/Jp409664D  0.454
2014 Larsen GS, Hart KE, Colina CM. Predictive simulations of the structural and adsorptive properties for PIM-1 variations Molecular Simulation. 40: 599-609. DOI: 10.1080/08927022.2013.829222  0.349
2014 McDermott AG, Budd PM, McKeown NB, Colina CM, Runt J. Physical aging of polymers of intrinsic microporosity: A SAXS/WAXS study Journal of Materials Chemistry A. 2: 11742-11752. DOI: 10.1039/C4Ta02165G  0.372
2014 Abbott LJ, Colina CM. Formation of microporosity in hyper-cross-linked polymers Macromolecules. 47: 5409-5415. DOI: 10.1021/Ma500579X  0.45
2014 Perkins SL, Painter P, Colina CM. Experimental and computational studies of choline chloride-based deep eutectic solvents Journal of Chemical and Engineering Data. 59: 3652-3662. DOI: 10.1021/Je500520H  0.342
2014 Abbott LJ, Colina CM. Porosity and ring formation in conjugated microporous polymers Journal of Chemical and Engineering Data. 59: 3177-3182. DOI: 10.1021/Je5002329  0.441
2014 Hart KE, Colina CM. Estimating gas permeability and permselectivity of microporous polymers Journal of Membrane Science. 468: 259-268. DOI: 10.1016/J.Memsci.2014.06.017  0.449
2013 Hart KE, Springmeier JM, McKeown NB, Colina CM. Simulated swelling during low-temperature N2 adsorption in polymers of intrinsic microporosity. Physical Chemistry Chemical Physics : Pccp. 15: 20161-9. PMID 24162439 DOI: 10.1039/C3Cp53402B  0.496
2013 Castellanos MM, Colina CM. Molecular dynamics simulations of human serum albumin and role of disulfide bonds. The Journal of Physical Chemistry. B. 117: 11895-905. PMID 24066859 DOI: 10.1021/Jp402994R  0.321
2013 Perkins SL, Painter P, Colina CM. Molecular dynamic simulations and vibrational analysis of an ionic liquid analogue. The Journal of Physical Chemistry. B. 117: 10250-60. PMID 23915257 DOI: 10.1021/Jp404619X  0.368
2013 Abbott LJ, McDermott AG, Del Regno A, Taylor RG, Bezzu CG, Msayib KJ, McKeown NB, Siperstein FR, Runt J, Colina CM. Characterizing the structure of organic molecules of intrinsic microporosity by molecular simulations and X-ray scattering. The Journal of Physical Chemistry. B. 117: 355-64. PMID 23265381 DOI: 10.1021/Jp308798U  0.343
2013 Hart KE, Abbott LJ, Colina CM. Analysis of force fields and BET theory for polymers of intrinsic microporosity Molecular Simulation. 39: 397-404. DOI: 10.1080/08927022.2012.733945  0.414
2013 Abbott LJ, McKeown NB, Colina CM. Design principles for microporous organic solids from predictive computational screening Journal of Materials Chemistry A. 1: 11950-11960. DOI: 10.1039/C3Ta12442H  0.375
2013 Zhou X, Li Y, Hart KE, Abbott LJ, Lin Z, Svec F, Colina CM, Turner SR. Nanoporous structure of semirigid alternating copolymers via nitrogen sorption and molecular simulation Macromolecules. 46: 5968-5973. DOI: 10.1021/Ma4006582  0.38
2013 Hart KE, Abbott LJ, McKeown NB, Colina CM. Toward effective CO2/CH4 separations by sulfur-containing PIMs via predictive molecular simulations Macromolecules. 46: 5371-5380. DOI: 10.1021/Ma400334B  0.352
2013 Abbott LJ, Hart KE, Colina CM. Polymatic: A generalized simulated polymerization algorithm for amorphous polymers Theoretical Chemistry Accounts. 132: 1-19. DOI: 10.1007/S00214-013-1334-Z  0.505
2012 Shen H, Moustafa IM, Cameron CE, Colina CM. Exploring the dynamics of four RNA-dependent RNA polymerases by a coarse-grained model. The Journal of Physical Chemistry. B. 116: 14515-24. PMID 23157550 DOI: 10.1021/Jp302709V  0.333
2012 Kim S, Palomino AM, Colina CM. Responsive polymer conformation and resulting permeability of clay-polymer nanocomposites Molecular Simulation. 38: 723-734. DOI: 10.1080/08927022.2012.678346  0.461
2011 Larsen GS, Lin P, Hart KE, Colina CM. Molecular simulations of pim-1-like polymers of intrinsic microporosity Macromolecules. 44: 6944-6951. DOI: 10.1021/Ma200345V  0.603
2011 Abbott LJ, Colina CM. Atomistic structure generation and gas adsorption simulations of microporous polymer networks Macromolecules. 44: 4511-4519. DOI: 10.1021/Ma200303P  0.464
2011 McDermott AG, Larsen GS, Budd PM, Colina CM, Runt J. Structural characterization of a polymer of intrinsic microporosity: X-ray scattering with interpretation enhanced by molecular dynamics simulations Macromolecules. 44: 14-16. DOI: 10.1021/Ma1024945  0.434
2011 Castro-Marcano F, Cataño-Barrera AM, Colina CM. Phase behavior of polymer solutions from macroscopic properties: Application to the perturbed chain statistical associating fluid theory equation of state Industrial and Engineering Chemistry Research. 50: 1046-1055. DOI: 10.1021/Ie1010977  0.473
2011 Van Niekerk D, Castro-Marcano F, Colina CM, Mathews JP. Solvent swelling extent of permian-aged vitrinite- and inertinite-rich coals: Experiments and modeling using the perturbed-chain statistical associating fluid theory (PC-SAFT) Energy and Fuels. 25: 2559-2564. DOI: 10.1021/Ef2001508  0.335
2011 Patterson K, Lisal M, Colina CM. Adsorption behavior of model proteins on surfaces Fluid Phase Equilibria. 302: 48-54. DOI: 10.1016/J.Fluid.2010.08.009  0.339
2011 Larsen GS, Lin P, Siperstein FR, Colina CM. Methane adsorption in PIM-1 Adsorption. 17: 21-26. DOI: 10.1007/S10450-010-9281-7  0.576
2011 Abbott LJ, Hart KE, Larsen GS, Lin P, Colina CM. Novel nanoporous polymers: In silico design Acs National Meeting Book of Abstracts.  0.363
2009 Shankar R, Klossner RR, Weaver JT, Koga T, Van Zanten JH, Krause WE, Colina CM, Tanaka F, Spontak RJ. Competitive hydrogen-bonding in polymer solutions with mixed solvents Soft Matter. 5: 304-307. DOI: 10.1039/B808479C  0.384
2008 Patterson K, Colina CM, Perera L, Pedersen LG. Human tissue factor: A molecular dynamics study Aiche Annual Meeting, Conference Proceedings.  0.608
2007 Hoffman M, Colina CM, Mcdonald AG, Arepally GM, Pedersen L, Monroe DM. Tissue factor around dermal vessels has bound factor VII in the absence of injury Journal of Thrombosis and Haemostasis. 5: 1403-1408. PMID 17425666 DOI: 10.1111/J.1538-7836.2007.02576.X  0.472
2006 Colina CM, Venkateswarlu D, Duke R, Perera L, Pedersen LG. What causes the enhancement of activity of factor VIIa by tissue factor? Journal of Thrombosis and Haemostasis : Jth. 4: 2726-9. PMID 17002651 DOI: 10.1111/J.1538-7836.2006.02222.X  0.724
2005 Colina CM, Gubbins KE. Vapor-liquid and vapor-liquid-liquid equilibria of carbon dioxide/n-perfluoroalkane/n-alkane ternary mixtures. The Journal of Physical Chemistry. B. 109: 2899-910. PMID 16851303 DOI: 10.1021/Jp046612D  0.477
2005 Colina CM, Duke RE, Venkateswarlu D, Perera L, Darden T, Pedersen LG. Atomic molecular dynamical modeling of a large protein complex: Stf-fviia Aiche Annual Meeting, Conference Proceedings. 10513.  0.621
2004 Striolo A, Colina CM, Gubbins KE, Elvassore N, Lue L. The depletion attraction between Pairs of colloid particles in polymer solution Molecular Simulation. 30: 437-499. DOI: 10.1080/0892702042000197649  0.716
2004 Walker TA, Colina CM, Gubbins KE, Spontak RJ. Thermodynamics of Poly(dimethylsiloxane)/Poly(ethylmethylsiloxane) (PDMS/PEMS) Blends in the Presence of High-Pressure CO 2 Macromolecules. 37: 2588-2595. DOI: 10.1021/Ma034920O  0.522
2004 Colina CM, Galindo A, Blas FJ, Gubbins KE. Phase behavior of carbon dioxide mixtures with n-alkanes and n-perfluoroalkanes Fluid Phase Equilibria. 222: 77-85. DOI: 10.1016/J.Fluid.2004.06.021  0.477
2003 Colina CM, Olivera-Fuentes CG, Siperstein FR, Lísal M, Gubbins KE. Thermal properties of supercritical carbon dioxide by Monte Carlo simulations Molecular Simulation. 29: 405-412. DOI: 10.1080/0892702031000117135  0.505
2003 Colina CM, Gubbins KE. Choosing and evaluating equations of state for thermophysical properties Chemical Engineering Education. 37: 236-240.  0.372
2002 Colina CM, Turrens LF, Gubbins KE, Olivera-Fuentes C, Vega LF. Predictions of the Joule-Thomson Inversion Curve for the n-Alkane Series and Carbon Dioxide from the Soft-SAFT Equation of State † Industrial & Engineering Chemistry Research. 41: 1069-1075. DOI: 10.1021/Ie010382X  0.469
2002 Colina CM, Lísal M, Siperstein FR, Gubbins KE. Accurate CO2 Joule-Thomson inversion curve by molecular simulations Fluid Phase Equilibria. 202: 253-262. DOI: 10.1016/S0378-3812(02)00126-7  0.492
2002 Colina CM, Hall CK, Gubbins KE. Phase behavior of PVAC-PTAN block copolymer in supercritical carbon dioxide using SAFT Fluid Phase Equilibria. 194: 553-565. DOI: 10.1016/S0378-3812(01)00789-0  0.584
1999 Colina CM, Müller EA. Molecular simulation of Joule-Thomson inversion curves International Journal of Thermophysics. 20: 229-236. DOI: 10.1023/A:1021402902877  0.53
1998 Ledanois JM, Müller EA, Colina CM, Gonzâlez-Mendizabal D, Santos JW, Olivera-Fuentes C. Correlations for direct calculation of vapor pressures from cubic equations of state Industrial and Engineering Chemistry Research. 37: 1673-1678. DOI: 10.1021/Ie970651C  0.473
1997 Colina C, Müller EA. Joule-Thomson Inversion Curves by Molecular Simulation Molecular Simulation. 19: 237-246. DOI: 10.1080/08927029708024153  0.537
Show low-probability matches.