Amitava Roy

5PUBLICATIONS
10CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsChemical thermodynamics and energeticsInorganic materials (incl. nanomaterials)Theory and design of materialsProteomics and intermolecular interactions (excl. medical proteomics)
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Publications (5)

|Aug 29, 2024
Do Molecular Fingerprints Identify Diverse Active Drugs in Large-Scale Virtual Screening? (No).

Vishwesh Venkatraman, Jeremiah Gaiser, Daphne Demekas

|Aug 29, 2024
The Area Law of Molecular Entropy: Moving beyond Harmonic Approximation.

Amitava Roy, Tibra Ali, Vishwesh Venkatraman

|Nov 12, 2020
Accommodation of In-Register N-Linked Glycans on Prion Protein Amyloid Cores.

Efrosini Artikis, Amitava Roy, Hugo Verli

|Jan 13, 2018
Modeling the assembly order of multimeric heteroprotein complexes.

Lenna X Peterson, Yoichiro Togawa, Juan Esquivel-Rodriguez

|Apr 11, 2017
Modeling disordered protein interactions from biophysical principles.

Lenna X Peterson, Amitava Roy, Charles Christoffer

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Frequent Collaborators

2 joint publications

Lenna X Peterson

2 joint publications

Daisuke Kihara

2 joint publications

Vishwesh Venkatraman

1 joint publications

Yoichiro Togawa