J. Michel

Vegetative stage and soil horizon respectively determine direction and magnitude of rhizosphere priming effects in contrasting treeline soils

The paper investigates rhizosphere priming effects in treeline soils, finding that organic soils show greater priming magnitude than mineral soils, with priming direction influenced by plant productivity and sampling time.

Energetics of a protein disorder-order transition in small molecule recognition

The paper investigates how a small molecule modulates a protein disorder-to-order transition, showing AM-7209 preferentially stabilizes ordered lid conformations in MDM2 compared to Nutlin-3a.

Active Cytoskeletal Composites Display Emergent Tunable Contractility and Restructuring

This study combines experiments and modeling to show how actin, tubulin, and myosin composites exhibit tunable contractility and restructuring through their connectivity and motor density.

Morphometry of SARS-CoV and SARS-CoV-2 particles in ultrathin plastic sections of infected Vero cell cultures.

The paper compares the morphology and size distribution of SARS-CoV and SARS-CoV-2 particles in Vero cell cultures using electron microscopy, finding similar particle sizes but a higher spike count in SARS-CoV.

The SAMPL6 SAMPLing challenge: Assessing the reliability and efficiency of binding free energy calculations

This study evaluates binding free energy calculation methods using the SAMPL6 challenge, finding variations in efficiency and reproducibility across different systems and methods.

Dynamic design: manipulation of millisecond timescale motions on the energy landscape of Cyclophilin A

The paper uses accelerated MD and MSM to study millisecond timescale conformational dynamics of CypA, identifying key states and validating predictions with NMR.

Allosteric effects in catalytic impaired variants of the enzyme cyclophilin A may be explained by changes in nano-microsecond time scale motions

This study uses MD simulations to show that catalytic impairment in CypA mutants is linked to faster nano-microsecond motions of Phe113, challenging the role of millisecond-scale conformational changes in allosteric effects.

Impact of domain knowledge on blinded predictions of binding energies by alchemical free energy calculations

The paper evaluates how domain knowledge affects alchemical free energy predictions for binding energies in drug design challenges, finding that charge-based subsets and binding modes improve performance.

Pushing The Limits Of Detection Of Weak Binding Using Fragment Based Drug Discovery: Identification Of New Cyclophilin Binders

This paper identifies novel cyclophilin binders using fragment-based drug discovery and combines X-ray diffraction, SPR, and MD simulations to better characterize weak binding events.