1.6k citations · 4.7k across the 34 of their papers we have counts for
34 papers
Quantum Simulation of Charge and Exciton Transfer in Multi-mode Models using Engineered Reservoirs
Visal So, Midhuna Duraisamy Suganthi, Mingjian Zhu +7
Quantum simulation offers a route to study open-system molecular dynamics in non-perturbative regimes by programming the interactions among electronic, vibrational, and environment…
The need to implement FAIR principles in biomolecular simulations
Rommie Amaro, Johan Åqvist, Ivet Bahar +125
This letter illustrates the opinion of the molecular dynamics (MD) community on the need to adopt a new FAIR paradigm for the use of molecular simulations. It highlights the necess…
Trapped-Ion Quantum Simulation of Electron Transfer Models with Tunable Dissipation
Visal So, Midhuna Duraisamy Suganthi, Abhishek Menon +6
Electron transfer is at the heart of many fundamental physical, chemical, and biochemical processes essential for life. The exact simulation of these reactions is often hindered by…
Theoretical and computational tools to model multistable gene regulatory networks
Federico Bocci, Dongya Jia, Qing Nie +2
The last decade has witnessed a surge of theoretical and computational models to describe the dynamics of complex gene regulatory networks, and how these interactions can give rise…
Stochastic fluctuations promote ordered pattern formation of cells in the Notch-Delta signaling pathway
Madeline Galbraith, Federico Bocci, José N. Onuchic
The Notch-Delta signaling pathway mediates cell differentiation implicated in many regulatory processes including spatiotemporal patterning in tissues by promoting alternate cell f…
Contact map dependence of a T cell receptor binding repertoire
Kevin Ng Chau, Jason T. George, José N. Onuchic +2
The T cell arm of the adaptive immune system provides the host protection against unknown pathogens by discriminating between host and foreign material. This discriminatory capabil…