Jas Kalayan

7PUBLICATIONS
10CO-AUTHORS
Receptors and membrane biologySemi- and unsupervised learningBiomolecular modelling and designTheoretical quantum chemistryStructural biology (incl. macromolecular modelling)
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Publications (7)

|Jan 08, 2026
Human class B1 GPCR modulation by plasma membrane lipids.

Kin W Chao, Linda Wong, Affiong I Oqua

|Aug 16, 2024
Stable and accurate atomistic simulations of flexible molecules using conformationally generalisable machine learned potentials.

Christopher D Williams, Jas Kalayan, Neil A Burton

|Mar 12, 2024
Molecular dynamics simulations as a guide for modulating small molecule aggregation.

Azam Nesabi, Jas Kalayan, Sara Al-Rawashdeh

|Jan 29, 2024
A neural network potential based on pairwise resolved atomic forces and energies.

Jas Kalayan, Ismaeel Ramzan, Christopher D Williams

|Aug 14, 2022
Total free energy analysis of fully hydrated proteins.

Jas Kalayan, Arghya Chakravorty, Jim Warwicker

|Feb 22, 2021
Convergence behaviour of solvation shells in simulated liquids.

Jas Kalayan, Richard H Henchman

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Frequent Collaborators

3 joint publications

Richard A Bryce

2 joint publications

Christopher D Williams

2 joint publications

Neil A Burton

1 joint publications

Jim Warwicker