| Rapid microwave-assisted biomass delignification and lignin depolymerization in deep eutectic solvents PD Muley, JK Mobley, X Tong, B Novak, J Stevens, D Moldovan, J Shi, ... Energy Conversion and Management 196, 1080-1088, 2019 | 131 | 2019 |
| Electrochemiluminescence of Ruthenium (II) Tris (bipyridine) Encapsulated in Sol− Gel Glasses MM Collinson, B Novak, SA Martin, JS Taussig Analytical chemistry 72 (13), 2914-2918, 2000 | 122 | 2000 |
| Comparison of heterogeneous and homogeneous bubble nucleation using molecular simulations BR Novak, EJ Maginn, MJ McCready Physical Review B 75 (8), 085413, 2007 | 79 | 2007 |
| An atomistic simulation study of the role of asperities and indentations on heterogeneous bubble nucleation BR Novak, EJ Maginn, MJ McCready | 42 | 2008 |
| Combined molecular dynamics and phase field simulation investigations of crystal-melt interfacial properties and dendritic solidification of highly undercooled titanium S Kavousi, BR Novak, MA Zaeem, D Moldovan Computational materials science 163, 218-229, 2019 | 35 | 2019 |
| Modified embedded-atom method potential for high-temperature crystal-melt properties of Ti–Ni alloys and its application to phase field simulation of solidification S Kavousi, BR Novak, MI Baskes, MA Zaeem, D Moldovan Modelling and Simulation in Materials Science and Engineering 28 (1), 015006, 2019 | 33 | 2019 |
| Molecular dynamics simulation study of the effect of DMSO on structural and permeation properties of DMPC lipid bilayers J Lin, B Novak, D Moldovan The Journal of Physical Chemistry B 116 (4), 1299-1308, 2012 | 31 | 2012 |
| Interface kinetics of rapid solidification of binary alloys by atomistic simulations: Application to Ti-Ni alloys S Kavousi, BR Novak, J Hoyt, D Moldovan Computational Materials Science 184, 109854, 2020 | 24 | 2020 |
| Distinguishing single DNA nucleotides based on their times of flight through nanoslits: a molecular dynamics simulation study BR Novak, D Moldovan, DE Nikitopoulos, SA Soper The Journal of Physical Chemistry B 117 (12), 3271-3279, 2013 | 24 | 2013 |
| Identifying structural changes with unsupervised machine learning methods N Walker, KM Tam, B Novak, M Jarrell Physical Review E 98 (5), 053305, 2018 | 21 | 2018 |
| Experimental and molecular dynamics simulation study of the effects of lignin dimers on the gel-to-fluid phase transition in DPPC bilayers X Tong, M Moradipour, B Novak, P Kamali, SO Asare, BL Knutson, ... The Journal of Physical Chemistry B 123 (39), 8247-8260, 2019 | 16 | 2019 |
| Diffusion and reactivity of ruthenium (II) tris (bipyridine) and cobalt (II) tris (bipyridine) in organically modified silicates MM Collinson, B Novak Journal of sol-gel science and technology 23, 215-220, 2002 | 16 | 2002 |
| Quantitative prediction of rapid solidification by integrated atomistic and phase-field modeling S Kavousi, BR Novak, D Moldovan, MA Zaeem Acta Materialia 211, 116885, 2021 | 13 | 2021 |
| A combined molecular dynamics/Monte Carlo simulation of Cu thin film growth on TiN substrates: Illustration of growth mechanisms and comparison with experiments R Namakian, BR Novak, X Zhang, WJ Meng, D Moldovan Applied Surface Science 570, 151013, 2021 | 12 | 2021 |
| Electrophoretic transport of single DNA nucleotides through Nanoslits: A molecular dynamics simulation study K Xia, BR Novak, KM Weerakoon-Ratnayake, SA Soper, DE Nikitopoulos, ... The Journal of Physical Chemistry B 119 (35), 11443-11458, 2015 | 12 | 2015 |
| Unraveling the Role of Charge Patterning in the Micellar Structure of Sequence-Defined Amphiphilic Peptoid Oligomers by Molecular Dynamics Simulations E Tsai, HK Gallage Dona, X Tong, P Du, B Novak, R David, SW Rick, ... Macromolecules 55 (12), 5197-5212, 2022 | 9 | 2022 |
| Umbrella sampling simulations of biotin carboxylase: is a structure with an open ATP grasp domain stable in solution? BR Novak, D Moldovan, GL Waldrop, MS Queiroz The Journal of Physical Chemistry B 113 (30), 10097-10103, 2009 | 7 | 2009 |
| Behavior of the ATP grasp domain of biotin carboxylase monomers and dimers studied using molecular dynamics simulations BR Novak, D Moldovan, GL Waldrop, MS de Queiroz Proteins: Structure, Function, and Bioinformatics 79 (2), 622-632, 2011 | 6 | 2011 |
| Molecular dynamics simulation study of the positioning and dynamics of α-tocopherol in phospholipid bilayers S Kavousi, BR Novak, X Tong, D Moldovan European Biophysics Journal 50 (6), 889-903, 2021 | 5 | 2021 |
| Interaction of lignin dimers with model cell membranes: A quartz crystal microbalance and molecular dynamics simulation study M Moradipour, X Tong, B Novak, P Kamali, SO Asare, BC Lynn, ... Biointerphases 16 (4), 2021 | 5 | 2021 |
Mark J. McCreadyProfessor of Chemical and Biomolecular Engineering, University of Notre DameVerified email at nd.edu
