Over a decade ago, in an Editorial, we proposed that beyond the foundational discovery of the DNA double helix, modern molecular biology has undergone a second revolution: a shift from static, single-structure models to dynamic, ensemble-based energy landscapes that define biomolecular function. Recently, Quarterly Rev...
R. Nussinov, H. Jang, P. Wolynes· Current Opinion in Structura...· 0 citations
The conceptual evolution of allostery from classical models to the conformational ensemble paradigm is reviewed and its implications for biology and modern drug discovery are discussed.
R. Nussinov, H. Jang· Journal of Molecular Biology· 0 citations
A fundamental question in cell signaling is how a single kinase, with a single primary substrate, can activate multiple distinct cellular programs. Kinases can be characterized by speed, duration, and amplitude. They should be efficient—but not necessarily maximally—as signaling functions often require slow kinetics. H...
R. Nussinov, Clil Regev, H. Jang· RSC Chemical Biology· 0 citations
Molecular glue degraders are an emerging class of small molecule allosteric modulators that induce or stabilize protein-protein interactions, enabling targeted degradation of previously intractable proteins. By redirecting E3 ligases to recognize neosubstrates, proteins that are not typically recognized by a specific E...
E. Ozdemir, H. Jang, Ozlem Keskin et al.· Medicinal research reviews (...· 0 citations
Using molecular dynamics simulations, this work provides a high-resolution, mechanistic framework for understanding how localized perturbations in the switch loops landscape dictate systemic cellular outcomes.
Nurit Haspel, H. Jang, R. Nussinov· Journal of Physical Chemistr...· 0 citations
Findings support rational drug combinations targeting HIF-1 together with upstream PI3K/AKT/mTOR, MAPK, MAPK, or JAK/STAT signaling in single-cell breast cancer atlases.
B. R. Yavuz, H. Jang, R. Nussinov· bioRxiv· 0 citations
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