Gregory R. Bowman

SGLT2 inhibitors activate pantothenate kinase in the human heart

This study identifies that SGLT2 inhibitors activate pantothenate kinase 1 (PANK1) in the human heart, enhancing coenzyme-A synthesis and fuel use, which may explain their clinical benefits in heart failure.

Antibody maturation increases rigidity in protein-contacting regions and flexibility at glycan interfaces

This study uses molecular dynamics simulations to show that antibody maturation increases rigidity in protein-contacting regions and flexibility at glycan interfaces.

Landscape of reversion alterations in homologous recombination genes reveals evolutionary constraints

The paper identifies reversion mutations in homologous recombination genes across cancers, showing they restore DNA repair and confer PARP inhibitor resistance through specific structural alterations.

AE-PocketMiner Uses Attention to Simultaneously Predict Cryptic Pockets and Their Allosteric Coupling

AE-PocketMiner predicts cryptic protein pockets and their allosteric coupling using a graph neural network, outperforming existing methods and validating predictions experimentally.

Deep Mining of the Human Antibody Repertoire Identifies Frequent and Genetically Diverse CDRH3 Topologies Targetable by Vaccination

The paper identifies frequent and genetically diverse CDRH3 topologies in the human antibody repertoire that can be targeted by vaccination to elicit broadly neutralizing antibodies.

How Well Can AI and Physics-Based Simulations Predict the Probability a Cryptic Pocket Is Open?

This study evaluates AI and physics-based simulations in predicting cryptic pocket opening probabilities in proteins, finding they can predict mutation effects but not absolute probabilities accurately.

Opening of a cryptic pocket is not suppressed by excluded volume effects of crowding

The study investigates whether synthetic crowders suppress cryptic pocket opening in a viral protein, finding negligible effects from excluded volume effects.

Opening and closing of a cryptic pocket in VP35 toggles it between two different RNA-binding modes

The paper investigates whether a cryptic pocket in VP35 affects dsRNA binding, showing that open and closed conformations bind different RNA features.

Pathogenic BRCA1 mutations disrupt allosteric control by BARD1

This study investigates how pathogenic BRCA1 mutations disrupt BARD1-mediated allosteric control, revealing conformational changes that impair E3 ligase activity and contribute to cancer.

The G protein inhibitor YM-254890 is an allosteric glue

The paper investigates how YM-254890 specifically inhibits Gq/11 by stabilizing the G-Gβγ complex through allosteric effects, revealing its mechanism as an 'allosteric glue'.

Accounting for fast vs slow exchange in single molecule FRET experiments reveals hidden conformational states

This study improves agreement between smFRET experiments and molecular dynamics simulations by accounting for time-averaging, revealing hidden conformational states in proteins.

Regulating IL-2 immune signaling function via a core allosteric structural network

This paper investigates how dynamic structural networks in IL-2 superkines affect receptor binding and signaling, showing that modulating core dynamics can improve immune cell selectivity.

Computing and Optimizing Over All Fixed-Points of Discrete Systems on Large Networks

The paper presents a method to efficiently compute all fixed points of discrete systems on large networks using graph partitioning and decomposition.