149 citations · 388 across the 11 of their papers we have counts for
11 papers
Accurate Cathode Properties of LiNiO2, LiCoO2, and LiMnO2 Using the SCAN Meta-GGA Density Functional
Arup Chakraborty, Mudit Dixit, Dan T. Major
Layered lithium intercalating transition metal (TM) oxides are promising cathode materials for Li-ion batteries. Here we scrutinize the recently developed strongly constrained and…
How nonuniform contact profiles of T cell receptors modulate thymic selection outcomes
Hanrong Chen, Arup K. Chakraborty, Mehran Kardar
T cell receptors (TCRs) bind foreign or self-peptides attached to major histocompatibility complex (MHC) molecules, and the strength of this interaction determines T cell activatio…
On the entropy of protein families
John Barton, Arup Chakraborty, Simona Cocco +2
Proteins are essential components of living systems, capable of performing a huge variety of tasks at the molecular level, such as recognition, signalling, copy, transport, ... The…
Identification of drug resistance mutations in HIV from constraints on natural evolution
Thomas C. Butler, John P. Barton, Mehran Kardar +1
Human immunodeficiency virus (HIV) evolves with extraordinary rapidity. However, its evolution is constrained by interactions between mutations in its fitness landscape. Here we sh…
Strain induced band alignment in wurtzite-zincblende InAs heterostructured nanowires
Jaya Kumar Panda, Arup Chakraborty, Indra Dasgupta +5
We study band alignment in wurtzite-zincblende polytype InAs heterostructured nanowires using temperature dependent resonance Raman measurements. Nanowires having two different wur…
Spin models inferred from patient data faithfully describe HIV fitness landscapes and enable rational vaccine design
Karthik Shekhar, Claire F. Ruberman, Andrew L. Ferguson +3
Mutational escape from vaccine induced immune responses has thwarted the development of a successful vaccine against AIDS, whose causative agent is HIV, a highly mutable virus. Kno…