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)

“…The carboxylate group of the Asp38 side chain, which serves as the proton acceptor and donor in the first and second steps, respectively, rotates significantly between the two proton transfer reactions. …”

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)

“…The carboxylate group of the Asp38 side chain, which serves as the proton acceptor and donor in the first and second steps, respectively, rotates significantly between the two proton transfer reactions. …”

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)

“…The carboxylate group of the Asp38 side chain, which serves as the proton acceptor and donor in the first and second steps, respectively, rotates significantly between the two proton transfer reactions. …”

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)

NG2 knockdown in GBM xenografts increased vascular reabsorption, decreased plasma volume and normalized tumour vasculature. by Jian Wang (5901)

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)

Iron-Catalyzed Activation of Carbon–Halogen Bonds by Eveline H. Tiekink (19948324)

Subjects:

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

Oocyst intensity and prevalence. by Lauren M. Childs (593877)

Simulation results of step-up load variation. by Maged Al-Barashi (18721120)

Experimental results of step-up load variation. by Maged Al-Barashi (18721120)

Fig 2 - by Ina Jahreis (11752073)

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S2 Fig - by Ina Jahreis (11752073)

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Simulations that now also include a <i>symmetric</i> indoors/outdoors model, with a threshold temperature of 17.5C both in spring and in fall. by Sebastian A. Müller (10688740)