Alexander J Pak

14PUBLICATIONS

21CO-AUTHORS

Structural biology (incl. macromolecular modelling)Mathematical aspects of general relativityDecision makingMicroelectromechanical systems (MEMS)Biofabrication

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Publications (14)

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|Jul 10, 2026

Collective fluctuations underlying nanobody inhibitory activity targeting <i>B. anthracis</i> S-layers revealed by multiscale simulations.

|May 04, 2026

Active subspace learning for coarse-grained molecular dynamics.

|Apr 21, 2026

Probabilistic Forecasting for Coarse-Grained Molecular Dynamics.

|Dec 15, 2025

Machine learning to design metal-organic frameworks: progress and challenges from a data efficiency perspective.

Diego A Gómez-Gualdrón, Tatiane Gercina de Vilas, Katherine Ardila

|Nov 24, 2025

Active subspace learning for coarse-grained molecular dynamics.

Anna Wojnar, Stephen Pankavich, Alexander J Pak

|Dec 11, 2024

Molecular dynamics and machine learning stratify motion-dependent activity profiles of S-layer destabilizing nanobodies.

Adam J Cecil, Adrià Sogues, Mukund Gurumurthi

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Frequent Collaborators

Gregory A Voth

John A G Briggs

Alvin Yu

Zunlong Ke

Darrin J Pochan

Jin Kim Montclare

Adrià Sogues

Han Remaut

Aaron Tan

Manish Gupta

Frequent Collaborators

Gregory A Voth

John A G Briggs

Alvin Yu

Zunlong Ke