15 citations · 18 across the 5 of their papers we have counts for
5 papers
Compound Mutations in the Abl1 Kinase Cause Inhibitor Resistance by Shifting DFG Flip Mechanisms and Relative State Populations
Gabriel Monteiro da Silva, Kyle Lam, David C. Dalgarno +1
The intrinsic dynamics of most proteins are central to their function. Protein tyrosine kinases such as Abl1 undergo significant conformational changes that modulate their activity…
Disentangling the Physics of the Attractive Hubbard Model via the Accessible and Symmetry-Resolved Entanglement Entropies
Tong Shen, Hatem Barghathi, Adrian Del Maestro +1
The complicated ways in which electrons interact in many-body systems such as molecules and materials have long been viewed through the lens of local electron correlation and assoc…
VMC Optimization of Ultra-Compact, Explicitly-Correlated Wave Functions of the Li Isoelectronic Sequence in Its Lowest 1s2s2p Quartet State
D. J. Nader, B. M. Rubenstein
A compact yet accurate approach for representing the wave functions of members of the He and Li isoelectronic series is using explicitly correlated wave functions. These wave funct…
Predicting Relative Populations of Protein Conformations without a Physics Engine Using AlphaFold2
Gabriel Monteiro da Silva, Jennifer Y. Cui, David C. Dalgarno +2
This paper presents a novel approach for predicting the relative populations of protein conformations using AlphaFold 2, an AI-powered method that has revolutionized biology by ena…
Dimensionality dependent electronic structure of the exfoliated van der Waals antiferromagnet NiPS
M. F. DiScala, D. Staros, A. de la Torre +6
Resonant Inelastic X-ray Scattering (RIXS) was used to measure the local electronic structure in few-layer exfoliated flakes of the van der Waals antiferromagnet NiPS. The resu…