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150 results on '"P. Simmerling"'

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1. A multidimensional study of the structure function ratio σLT′/σ0 from hard exclusive π+ electro-production off protons in the GPD regime

2. The need to implement FAIR principles in biomolecular simulations

3. Exact analytical algorithm for solvent accessible surface area and derivatives in implicit solvent molecular simulations on GPUs

4. AmberTools

5. First CLAS12 measurement of DVCS beam-spin asymmetries in the extended valence region

6. A multidimensional study of the structure function ratio $\sigma_{LT'}/\sigma_{0}$ from hard exclusive $\pi^+$ electro-production off protons in the GPD regime

7. First Measurement of $\Lambda$ Electroproduction off Nuclei in the Current and Target Fragmentation Regions

8. Design of the ECCE Detector for the Electron Ion Collider

9. CORE -- a COmpact detectoR for the EIC

10. Detector Requirements and Simulation Results for the EIC Exclusive, Diffractive and Tagging Physics Program using the ECCE Detector Concept

11. First observation of correlations between spin and transverse momenta in back-to-back dihadron production at CLAS12

12. Alignment of the CLAS12 central hybrid tracker with a Kalman Filter

13. ECCE unpolarized TMD measurements

14. ECCE Sensitivity Studies for Single Hadron Transverse Single Spin Asymmetry Measurements

15. Open Heavy Flavor Studies for the ECCE Detector at the Electron Ion Collider

16. Exclusive J/$\psi$ Detection and Physics with ECCE

17. Search for $e\to\tau$ Charged Lepton Flavor Violation at the EIC with the ECCE Detector

18. Design and Simulated Performance of Calorimetry Systems for the ECCE Detector at the Electron Ion Collider

19. Observation of azimuth-dependent suppression of hadron pairs in electron scattering off nuclei

20. AI-assisted Optimization of the ECCE Tracking System at the Electron Ion Collider

21. Scientific Computing Plan for the ECCE Detector at the Electron Ion Collider

22. BioMThermDB 1.0: Thermophysical Database of Proteins in Solutions

23. Exclusive $\pi^{-}$ Electroproduction off the Neutron in Deuterium in the Resonance Region

24. Beam-Recoil Transferred Polarization in $K^+Y$ Electroproduction in the Nucleon Resonance Region with CLAS12

25. Polarized Structure Function $\sigma_{LT'}$ from $\pi^0 p$ Electroproduction Data in the Resonance Region at $0.4$ GeV$^2 < Q^2 < 1.0$ GeV$^2$

26. GlycoGrip: Cell Surface-Inspired Universal Sensor for Betacoronaviruses

27. Multidimensional, high precision measurements of beam single spin asymmetries in semi-inclusive $\pi^{+}$ electroproduction off protons in the valence region

28. AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics

29. Quantitative Analysis of Protein Unfolded State Energetics: Experimental and Computational Studies Demonstrate That Non-Native Side-Chain Interactions Stabilize Local Native Backbone Structure

30. The flexibility of ACE2 in the context of SARS-CoV-2 infection

31. Protein storytelling through physics

32. Dissecting the Energetics of Intrinsically Disordered Proteins via a Hybrid Experimental and Computational Approach

33. Laguerre-Intersection Method for Implicit Solvation

37. Experimental and Computational Analysis of Protein Stabilization by Gly-to‑d‑Ala Substitution: A Convolution of Native State and Unfolded State Effects

38. Advances in free-energy-based simulations of protein folding and ligand binding

40. Grid-Based Backbone Correction to the ff12SB Protein Force Field for Implicit-Solvent Simulations

41. Accurately Modeling RNA Stem-Loops in an Implicit Solvent Environment

45. k-Means

47. Detector requirements and simulation results for the EIC exclusive, diffractive and tagging physics program using the ECCE detector concept

48. ECCE sensitivity studies for single hadron transverse single spin asymmetry measurements

49. Alignment of the CLAS12 central hybrid tracker with a Kalman Filter

50. Search for e→τ charged lepton flavor violation at the EIC with the ECCE detector

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