Teresa Head-Gordon

110PUBLICATIONS
253CO-AUTHORS
Dynamics, vibration and vibration controlBiomolecular modelling and designTheoretical quantum chemistryContaminant hydrologyComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)
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Publications (110)

|Sep 15, 2026
Conformational ensembles of the disordered 4E-BP2:eIF4E complex restrained by smFRET experiments.

|Sep 14, 2026
LinkLlama: Enabling a Large Language Model for Chemically Reasonable Linker Design.

|Sep 02, 2026
Using energy decomposition analysis from correlated wavefunction theory to characterize a range of hydrogen, halogen, and tetrel bonds: the relative importance of electrostatics, charge-transfer and polarization.

|Aug 05, 2026
Reply to the Correspondence on "Can Charge Transfer Across C-H···O Hydrogen Bonds Stabilize Oil Droplets in Water?"

|Aug 01, 2026
CAFE: A Co-folding Approach for Fragment Exploration of Allosteric and Cryptic Binding Sites.

|Jul 29, 2026
TorchFF: A high-performance GPU-accelerated differentiable force field library.

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Frequent Collaborators

22 joint publications

Martin Head-Gordon

14 joint publications

Jie Li

11 joint publications

Julie D Forman-Kay

9 joint publications

Zi Hao Liu