Obaidur Rahaman
Title
Cited by
Cited by
Year
Development of a ReaxFF reactive force field for glycine and application to solvent effect and tautomerization
O Rahaman, ACT Van Duin, WA Goddard III, DJ Doren
The Journal of Physical Chemistry B 115 (2), 249-261, 2011
1762011
Development and validation of a ReaxFF reactive force field for Cu cation/water interactions and copper metal/metal oxide/metal hydroxide condensed phases
ACT Van Duin, VS Bryantsev, MS Diallo, WA Goddard, O Rahaman, ...
The Journal of Physical Chemistry A 114 (35), 9507-9514, 2010
1602010
Borophene as an anode material for Ca, Mg, Na or Li ion storage: a first-principle study
B Mortazavi, A Dianat, O Rahaman, G Cuniberti, T Rabczuk
Journal of Power Sources 329, 456-461, 2016
1452016
First-principles investigation of mechanical properties of silicene, germanene and stanene
B Mortazavi, O Rahaman, M Makaremi, A Dianat, G Cuniberti, T Rabczuk
Physica E: Low-dimensional Systems and Nanostructures 87, 228-232, 2017
1282017
Mechanical responses of borophene sheets: a first-principles study
B Mortazavi, O Rahaman, A Dianat, T Rabczuk
Physical Chemistry Chemical Physics 18 (39), 27405-27413, 2016
1062016
Thermal conductivity and mechanical properties of nitrogenated holey graphene
B Mortazavi, O Rahaman, T Rabczuk, LFC Pereira
Carbon 106, 1-8, 2016
1042016
Flat borophene films as anode materials for Mg, Na or Li-ion batteries with ultra high capacities: A first-principles study
B Mortazavi, O Rahaman, S Ahzi, T Rabczuk
Applied Materials Today 8, 60-67, 2017
852017
Development of a ReaxFF reactive force field for aqueous chloride and copper chloride
O Rahaman, ACT Van Duin, VS Bryantsev, JE Mueller, SD Solares, ...
The Journal of Physical Chemistry A 114 (10), 3556-3568, 2010
622010
Unfolding pathways of human serum albumin: evidence for sequential unfolding and folding of its three domains
MK Santra, A Banerjee, O Rahaman, D Panda
International journal of biological macromolecules 37 (4), 200-204, 2005
602005
Multiple‐probe analysis of folding and unfolding pathways of human serum albumin: Evidence for a framework mechanism of folding
MK Santra, A Banerjee, SS Krishnakumar, O Rahaman, D Panda
European journal of biochemistry 271 (9), 1789-1797, 2004
602004
Molecular dynamics simulations of a DMPC bilayer using nonadditive interaction models
JE Davis, O Rahaman, S Patel
Biophysical journal 96 (2), 385-402, 2009
582009
A structural insight into mechanical strength of graphene-like carbon and carbon nitride networks
O Rahaman, B Mortazavi, A Dianat, G Cuniberti, T Rabczuk
Nanotechnology 28 (5), 055707, 2016
342016
How conformational flexibility stabilizes the hyperthermophilic elongation factor g-domain
M Kalimeri, O Rahaman, S Melchionna, F Sterpone
The Journal of Physical Chemistry B 117 (44), 13775-13785, 2013
332013
A first-principles study on the effect of oxygen content on the structural and electronic properties of silicon suboxide as anode material for lithium ion batteries
O Rahaman, B Mortazavi, T Rabczuk
Journal of Power Sources 307, 657-664, 2016
292016
Evaluation of several two-step scoring functions based on linear interaction energy, effective ligand size, and empirical pair potentials for prediction of protein–ligand …
O Rahaman, TP Estrada, DJ Doren, M Taufer, CL Brooks III, RS Armen
Journal of chemical information and modeling 51 (9), 2047-2065, 2011
262011
The effect of protein composition on hydration dynamics
O Rahaman, S Melchionna, D Laage, F Sterpone
Physical Chemistry Chemical Physics 15 (10), 3570-3576, 2013
242013
Metamorphosis in carbon network: From penta-graphene to biphenylene under uniaxial tension
O Rahaman, B Mortazavi, A Dianat, G Cuniberti, T Rabczuk
FlatChem 1, 65-73, 2017
232017
Role of internal water on protein thermal stability: The case of homologous G domains
O Rahaman, M Kalimeri, S Melchionna, J Hénin, F Sterpone
The Journal of Physical Chemistry B 119 (29), 8939-8949, 2015
122015
Configurational disorder of water hydrogen-bond network at the protein dynamical transition
O Rahaman, M Kalimeri, M Katava, A Paciaroni, F Sterpone
The Journal of Physical Chemistry B 121 (28), 6792-6798, 2017
112017
Deep learning total energies and orbital energies of large organic molecules using hybridization of molecular fingerprints
O Rahaman, A Gagliardi
Journal of Chemical Information and Modeling 60 (12), 5971-5983, 2020
42020
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Articles 1–20