Molecular recognition of metabotropic glutamate receptor type 1 (mGluR1): Synergistic understanding with free energy perturbation and linear response modeling
- Seung-Gu Kang
- Payel Das
- et al.
- 2014
- Journal of Physical Chemistry B
Publications
This is our catalog of publications authored by IBM researchers, in collaboration with the global research community. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.
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71 results for Payel Das
Collapse of a hydrophobic polymer in a mixture of denaturants
- Payel Das
- Zhen Xia
- et al.
- 2013
- Langmuir
Direct characterization of hydrophobic hydration during cold and pressure denaturation
- Payel Das
- Silvina Matysiak
- 2012
- Journal of Physical Chemistry B
Effect of cosolvents on nano-confined water: A molecular dynamics study
- Payel Das
- 2012
- Nanoscale
Modeling mutations of influenza virus with IBM Blue Gene
- Zhen Xia
- Payel Das
- et al.
- 2011
- IBM J. Res. Dev
Urea-induced drying of hydrophobic nanotubes: Comparison of different urea models
- Peng Xiu
- Zaixing Yang
- et al.
- 2011
- Journal of Physical Chemistry B
Single mutation effects on conformational change and membrane deformation of influenza hemagglutinin fusion peptides
- Jingyuan Li
- Payel Das
- et al.
- 2010
- Journal of Physical Chemistry B
Urea-induced drying of carbon nanotubes suggests existence of a dry globule-like transient state during chemical denaturation of proteins
- Payel Das
- Ruhong Zhou
- 2010
- Journal of Physical Chemistry B
β-strand interactions at the domain interface critical for the stability of human lens γD-crystallin
- Payel Das
- Jonathan A. King
- et al.
- 2009
- Protein Science
Free energy simulations reveal a double mutant avian H5N1 virus hemagglutinin with altered receptor binding specificity
- Payel Das
- Jingyuan Li
- et al.
- 2009
- Journal of Computational Chemistry