Heather A Carlson

11PUBLICATIONS
20CO-AUTHORS
Biomolecular modelling and designGene and molecular therapyProteins and peptidesStatistical mechanics in chemistryCharacterisation of biological macromolecules
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Publications (11)

|May 04, 2023
Identifying Potential Ligand Binding Sites on Glycogen Synthase Kinase 3 Using Atomistic Cosolvent Simulations.

Debarati DasGupta, Ramin Mehrani, Heather A Carlson

|May 09, 2022
Cosolvent Simulations with Fragment-Bound Proteins Identify Hot Spots to Direct Lead Growth.

Pancham Lal Gupta, Heather A Carlson

|Feb 02, 2022
Computational Identification of Possible Allosteric Sites and Modulators of the SARS-CoV-2 Main Protease.

Debarati DasGupta, Wallace K B Chan, Heather A Carlson

|Sep 14, 2021
Crowdsourced identification of multi-target kinase inhibitors for RET- and TAU- based disease: The Multi-Targeting Drug DREAM Challenge.

Zhaoping Xiong, Minji Jeon, Robert J Allaway

|Sep 08, 2021
Mixed-solvent molecular dynamics simulation-based discovery of a putative allosteric site on regulator of G protein signaling 4.

Wallace K B Chan, Debarati DasGupta, Heather A Carlson

|Feb 18, 2021
Identification of Cryptic Binding Sites Using MixMD with Standard and Accelerated Molecular Dynamics.

Richard D Smith, Heather A Carlson

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Frequent Collaborators

2 joint publications

Sarah E Graham

2 joint publications

Wallace K B Chan

2 joint publications

Debarati DasGupta

1 joint publications

Jordan J Clark