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Alessandra Mattei

5PUBLICATIONS

10CO-AUTHORS

Chemical thermodynamics and energeticsTheory and design of materialsComputational chemistryBiomolecular modelling and design

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Publications (5)

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|Nov 08, 2024

Enhanced and Efficient Predictions of Dynamic Ionization through Constant-pH Adiabatic Free Energy Dynamics.

Richard S Hong, Busayo D Alagbe, Alessandra Mattei

|Nov 28, 2023

Free Energy Perturbation Approach for Accurate Crystalline Aqueous Solubility Predictions.

Richard S Hong, Ana V Rojas, Rajni Miglani Bhardwaj

|Oct 17, 2022

A data-driven and topological mapping approach for the a priori prediction of stable molecular crystalline hydrates.

Richard S Hong, Alessandra Mattei, Ahmad Y Sheikh

|Aug 05, 2022

Efficient Crystal Structure Prediction for Structurally Related Molecules with Accurate and Transferable Tailor-Made Force Fields.

Alessandra Mattei, Richard S Hong, Hanno Dietrich

|Oct 12, 2021

Implications of the Conformationally Flexible, Macrocyclic Structure of the First-Generation, Direct-Acting Anti-Viral Paritaprevir on Its Solid Form Complexity and Chameleonic Behavior.

Ahmad Y Sheikh, Alessandra Mattei, Rajni Miglani Bhardwaj

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Frequent Collaborators

5 joint publications

Ahmad Y Sheikh

3 joint publications

Rajni Miglani Bhardwaj

3 joint publications

Richard S Hong

1 joint publications

Kenneth M Engstrom

1 joint publications

Moiz Diwan

1 joint publications

David A DeGoey

1 joint publications

Nathan S Abraham

1 joint publications

Ana V Rojas

1 joint publications

Lingle Wang

1 joint publications

Mark E Tuckerman

Frequent Collaborators

5 joint publications

Ahmad Y Sheikh

3 joint publications

Rajni Miglani Bhardwaj

3 joint publications

Richard S Hong

1 joint publications

Kenneth M Engstrom

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