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Obaidur Rahaman, Ph.D. - Publications

Affiliations: 
2010 Department of Chemistry and Biochemistry University of Delaware, Newark, DE, United States 
Area:
Condensed Matter
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17 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
2017 Rahaman O, Kalimeri M, Katava M, Paciaroni A, Sterpone F. Configurational Disorder of Water Hydrogen Bond Network at the Protein Dynamical Transition. The Journal of Physical Chemistry. B. PMID 28635287 DOI: 10.1021/Acs.Jpcb.7B03888  0.355
2017 Rahaman O, Mortazavi B, Dianat A, Cuniberti G, Rabczuk T. A structural insight into mechanical strength of graphene-like carbon and carbon nitride networks. Nanotechnology. 28: 055707. PMID 28029113 DOI: 10.1088/1361-6528/28/5/055707  0.344
2017 Mortazavi B, Rahaman O, Makaremi M, Dianat A, Cuniberti G, Rabczuk T. First-principles investigation of mechanical properties of silicene, germanene and stanene Physica E: Low-Dimensional Systems and Nanostructures. 87: 228-232. DOI: 10.1016/J.Physe.2016.10.047  0.334
2017 Mortazavi B, Rahaman O, Ahzi S, Rabczuk T. Flat borophene films as anode materials for Mg, Na or Li-ion batteries with ultra high capacities: A first-principles study Applied Materials Today. 8: 60-67. DOI: 10.1016/J.Apmt.2017.04.010  0.303
2016 Mortazavi B, Rahaman O, Dianat A, Rabczuk T. Mechanical responses of borophene sheets: a first-principles study. Physical Chemistry Chemical Physics : Pccp. 18: 27405-27413. PMID 27711458 DOI: 10.1039/C6Cp03828J  0.317
2016 Mortazavi B, Dianat A, Rahaman O, Cuniberti G, Rabczuk T. Borophene as an anode material for Ca, Mg, Na or Li ion storage: A first-principle study Journal of Power Sources. 329: 456-461. DOI: 10.1016/J.Jpowsour.2016.08.109  0.319
2016 Mortazavi B, Rahaman O, Rabczuk T, Pereira LFC. Thermal conductivity and mechanical properties of nitrogenated holey graphene Carbon. 106: 1-8. DOI: 10.1016/J.Carbon.2016.05.009  0.312
2015 Rahaman O, Kalimeri M, Melchionna S, Hénin J, Sterpone F. Role of Internal Water on Protein Thermal Stability: The Case of Homologous G Domains. The Journal of Physical Chemistry. B. 119: 8939-49. PMID 25317828 DOI: 10.1021/Jp507571U  0.368
2014 Rahaman O, Doren DJ, Di Toro DM. Quantum mechanical estimation of Abraham hydrogen bond parameters using 1:1 donor-acceptor complexes Journal of Physical Organic Chemistry. DOI: 10.1002/Poc.3337  0.571
2013 Kalimeri M, Rahaman O, Melchionna S, Sterpone F. How conformational flexibility stabilizes the hyperthermophilic elongation factor G-domain. The Journal of Physical Chemistry. B. 117: 13775-85. PMID 24087838 DOI: 10.1021/Jp407078Z  0.316
2013 Rahaman O, Melchionna S, Laage D, Sterpone F. The effect of protein composition on hydration dynamics Physical Chemistry Chemical Physics. 15: 3570-3576. PMID 23381660 DOI: 10.1039/C3Cp44582H  0.336
2011 Rahaman O, Estrada TP, Doren DJ, Taufer M, Brooks CL, Armen RS. Evaluation of several two-step scoring functions based on linear interaction energy, effective ligand size, and empirical pair potentials for prediction of protein-ligand binding geometry and free energy. Journal of Chemical Information and Modeling. 51: 2047-65. PMID 21644546 DOI: 10.1021/Ci1003009  0.588
2011 Rahaman O, van Duin AC, Goddard WA, Doren DJ. Development of a ReaxFF reactive force field for glycine and application to solvent effect and tautomerization. The Journal of Physical Chemistry. B. 115: 249-61. PMID 21166434 DOI: 10.1021/Jp108642R  0.587
2011 Rahaman O, Estrada TP, Doren DJ, Taufer M, Brooks CL, Armen RS. Evaluation of several two-step scoring functions based on linear interaction energy, effective ligand size, and empirical pair potentials for prediction of protein-ligand binding geometry and free energy Journal of Chemical Information and Modeling. 51: 2047-2065. DOI: 10.1021/ci1003009  0.567
2010 van Duin AC, Bryantsev VS, Diallo MS, Goddard WA, Rahaman O, Doren DJ, Raymand D, Hermansson K. Development and validation of a ReaxFF reactive force field for Cu cation/water interactions and copper metal/metal oxide/metal hydroxide condensed phases. The Journal of Physical Chemistry. A. 114: 9507-14. PMID 20707333 DOI: 10.1021/Jp102272Z  0.575
2010 Rahaman O, van Duin AC, Bryantsev VS, Mueller JE, Solares SD, Goddard WA, Doren DJ. Development of a ReaxFF reactive force field for aqueous chloride and copper chloride. The Journal of Physical Chemistry. A. 114: 3556-68. PMID 20180586 DOI: 10.1021/Jp9090415  0.61
2009 Davis JE, Rahaman O, Patel S. Molecular dynamics simulations of a DMPC bilayer using nonadditive interaction models. Biophysical Journal. 96: 385-402. PMID 19167291 DOI: 10.1016/J.Bpj.2008.09.048  0.424
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