Hybrid Quantum/Classical Molecular Dynamics Simulations of the Proton Transfer Reactions Catalyzed by Ketosteroid Isomerase: Analysis of Hydrogen Bonding, Conformational Motions, a... by Dhruva K. Chakravorty (1420549)

“…Nuclear quantum effects of the transferring hydrogen increase the rates by a factor of ∼8, and dynamical barrier recrossings decrease the rates by a factor of 3−4. …”

Hybrid Quantum/Classical Molecular Dynamics Simulations of the Proton Transfer Reactions Catalyzed by Ketosteroid Isomerase: Analysis of Hydrogen Bonding, Conformational Motions, a... by Dhruva K. Chakravorty (1420549)

“…Nuclear quantum effects of the transferring hydrogen increase the rates by a factor of ∼8, and dynamical barrier recrossings decrease the rates by a factor of 3−4. …”

Hybrid Quantum/Classical Molecular Dynamics Simulations of the Proton Transfer Reactions Catalyzed by Ketosteroid Isomerase: Analysis of Hydrogen Bonding, Conformational Motions, a... by Dhruva K. Chakravorty (1420549)

“…Nuclear quantum effects of the transferring hydrogen increase the rates by a factor of ∼8, and dynamical barrier recrossings decrease the rates by a factor of 3−4. …”

Hybrid Quantum/Classical Molecular Dynamics Simulations of the Proton Transfer Reactions Catalyzed by Ketosteroid Isomerase: Analysis of Hydrogen Bonding, Conformational Motions, a... by Dhruva K. Chakravorty (1420549)

“…Nuclear quantum effects of the transferring hydrogen increase the rates by a factor of ∼8, and dynamical barrier recrossings decrease the rates by a factor of 3−4. …”

Hybrid Quantum/Classical Molecular Dynamics Simulations of the Proton Transfer Reactions Catalyzed by Ketosteroid Isomerase: Analysis of Hydrogen Bonding, Conformational Motions, a... by Dhruva K. Chakravorty (1420549)

“…Nuclear quantum effects of the transferring hydrogen increase the rates by a factor of ∼8, and dynamical barrier recrossings decrease the rates by a factor of 3−4. …”

Hybrid Quantum/Classical Molecular Dynamics Simulations of the Proton Transfer Reactions Catalyzed by Ketosteroid Isomerase: Analysis of Hydrogen Bonding, Conformational Motions, a... by Dhruva K. Chakravorty (1420549)

“…Nuclear quantum effects of the transferring hydrogen increase the rates by a factor of ∼8, and dynamical barrier recrossings decrease the rates by a factor of 3−4. …”

Parts of a whole analysis visualizing the relative distribution of <i>T. colubriformis</i> L3 in each height zone. by Katy A. Martin (9216905)

Viral inhibition assays around the IC50 of VPA by direct inhibition of HDAC2. by Amanda Watson (4447267)

Determination of IC₅₀ and maximum induction of VPA using Vero cells. by Amanda Watson (4447267)

LuxR G37V has decreased DNA-binding activity. by Chelsea A. Simpson (9579303)

Figure S1 - TGF-β1 Downregulates COX-2 Expression Leading to Decrease of PGE2 Production in Human Lung Cancer A549 Cells, Which Is Involved in Fibrotic Response to TGF-β1 by Erina Takai (465811)

The number of strong contact and strong contact force of CFRP confined concrete specimens under three coal gangue replacement rates (0%, 50%, 100%). by Qingwen Li (1510687)

The number of strong contact and strong contact force of GFRP confined concrete specimens under three coal gangue replacement rates (0%, 50%, 100%). by Qingwen Li (1510687)

The number of strong contact and strong contact force of BFRP confined concrete specimens under three coal gangue replacement rates (0%, 50%, 100%). by Qingwen Li (1510687)

Eliminations of dorsal projections in DOM and DOM-A downregulation were due to reduced number of sLNvs and decrease of PDF. by Zhenxing Liu (399809)

(A) Spike patterns of 50 granule cells (GR; top) and Golgi cells (GO; bottom) by Tadashi Yamazaki (40072)

Lubrication Behavior of Fullerene-Coated Nanoparticles on Rough Surfaces by Guangchao Han (1453198)

One-Step Estimator Paths for Concave Regularization by Matt Taddy (2878235)

“…In response, this article proposes a simple new algorithm framework that requires no more computation than a lasso path: the path of one-step estimators (POSE) does ℓ₁ penalized regression estimation on a grid of decreasing penalties, but adapts coefficient-specific weights to decrease as a function of the coefficient estimated in the previous path step. …”

The slope for all significant factors on the number of steps before a fall across all three speeds. by Amy Mitchell (3208905)

“…<p>Interactions are indicated with a “+”. The slope indicates the magnitude and sign of the effect, where a negative slope indicates that the number of steps taken decreases as the variability changes from low to high. …”

Effect of step-wise hard lock-down. by Daniele Proverbio (10843979)