Zobrazeno 1 - 10
of 150
pro vyhledávání: '"Sarupria, Sapna"'
Autor:
Zajac, Jonathan W. P., Muralikrishnan, Praveen, Heldt, Caryn L., Perry, Sarah L., Sarupria, Sapna
The stabilization of liquid biological products is a complex task that depends on the chemical composition of both the active ingredient and any excipients in solution. Frequently, a large number of unique excipients are required to stabilize biologi
Externí odkaz:
http://arxiv.org/abs/2407.00885
Understanding the mechanisms underlying crystal formation is crucial. For most systems, crystallization typically goes through a nucleation process that involves dynamics that happen at short time and length scales. Due to this, molecular dynamics se
Externí odkaz:
http://arxiv.org/abs/2405.09642
Autor:
Zajac, Jonathan W. P., Muralikrishnan, Praveen, Tohidian, Idris, Zeng, Xianci, Heldt, Caryn L., Perry, Sarah L., Sarupria, Sapna
Arginine has been a mainstay in biological formulation development for decades. To date, the way arginine modulates protein stability has been widely studied and debated. Here, we employed a hydrophobic polymer to decouple hydrophobic effects from ot
Externí odkaz:
http://arxiv.org/abs/2403.11305
Path sampling approaches have become invaluable tools to explore the mechanisms and dynamics of so-called rare events that are characterized by transitions between metastable states separated by sizeable free energy barriers. Their practical applicat
Externí odkaz:
http://arxiv.org/abs/2203.11362
Autor:
DeFever, Ryan S., Sarupria, Sapna
Publikováno v:
J. Chem. Phys., 150, 024103 (2019)
Many rare event transitions involve multiple collective variables (CVs) and the most appropriate combination of CVs is generally unknown a priori. We thus introduce a new method, contour forward flux sampling (cFFS), to study rare events with multipl
Externí odkaz:
http://arxiv.org/abs/1901.03422
Autor:
Garcia Carcamo, Ricardo A., Zhang, Xiaohong, Estejab, Ali, Zhou, Jiarun, Hare, Bryan J., Sievers, Carsten, Sarupria, Sapna, Getman, Rachel B.
Publikováno v:
In iScience 17 February 2023 26(2)
Freezing in the vicinity of water-vapor interfaces is of considerable interest to a wide range of disciplines, most notably the atmospheric sciences. In this work, we use molecular dynamics and two advanced sampling techniques, forward flux sampling
Externí odkaz:
http://arxiv.org/abs/1409.0953
Publikováno v:
In Current Opinion in Chemical Engineering March 2019 23:138-145
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