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Journal of Chemical Information and Modeling|October 29, 2020
Deep Learning Total Energies and Orbital Energies of Large Organic Molecules Using Hybridization of Molecular FingerprintsObaidur Rahaman, Alessio Gagliardi
Biophysical Journal|January 27, 2009
Molecular dynamics simulations of a DMPC bilayer using nonadditive interaction modelsJoseph E Davis, Obaidur Rahaman, Sandeep Patel
Physical Chemistry Chemical Physics : PCCP|October 7, 2016
Mechanical responses of borophene sheets: a first-principles studyBohayra Mortazavi, Obaidur Rahaman, Arezoo Dianat, et al.
The Journal of Physical Chemistry. B|October 4, 2013
How conformational flexibility stabilizes the hyperthermophilic elongation factor G-domainMaria Kalimeri, Obaidur Rahaman, Simone Melchionna, et al.
International Journal of Biological Macromolecules|December 6, 2005
Unfolding pathways of human serum albumin: evidence for sequential unfolding and folding of its three domainsManas Kumar Santra, Abhijit Banerjee, Obaidur Rahaman, et al.
The Journal of Physical Chemistry. B|June 22, 2017
Configurational Disorder of Water Hydrogen-Bond Network at the Protein Dynamical TransitionObaidur Rahaman, Maria Kalimeri, Marina Katava, et al.
Nanotechnology|December 29, 2016
A structural insight into mechanical strength of graphene-like carbon and carbon nitride networksObaidur Rahaman, Bohayra Mortazavi, Arezoo Dianat, et al.
The Journal of Physical Chemistry. B|October 16, 2014
Role of Internal Water on Protein Thermal Stability: The Case of Homologous G DomainsObaidur Rahaman, Maria Kalimeri, Simone Melchionna, et al.
European Journal of Biochemistry|April 21, 2004
Multiple-probe analysis of folding and unfolding pathways of human serum albumin. Evidence for a framework mechanism of foldingManas Kumar Santra, Abhijit Banerjee, Shyam Sundar Krishnakumar, et al.
The Journal of Physical Chemistry. B|December 21, 2010
Development of a ReaxFF reactive force field for glycine and application to solvent effect and tautomerizationObaidur Rahaman, Adri C T van Duin, William A Goddard, et al.
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