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Biophysical Reports
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New articles

Articles below are published ahead of final publication in an issue. Please cite articles in the following format: authors, (year), title, journal, DOI.

September 29, 2022

Article

Capillary Coupled Electrically Stimulated Segmented Flow Generators for Reduced Sample Consumption in Serial Femtosecond Crystallography

  • Mukul Sonker,
  • Diandra Doppler,
  • Ana Egatz-Gomez,
  • Sahba Zaare,
  • Mohammad T. Rabbani,
  • Abhik Manna,
  • Jorvani Cruz Villarreal,
  • Garrett Nelson,
  • Gihan K. Ketawala,
  • Konstantinos Karpos,
  • Roberto C. Alvarez,
  • Reza Nazari,
  • Darren Thifault,
  • Rebecca Jernigan,
  • Dominik Oberthür,
  • Huijong Han,
  • Raymond Sierra,
  • Mark S. Hunter,
  • Alexander Batyuk,
  • Christopher J. Kupitz,
  • Robert E. Sublett,
  • Frederic Poitevin,
  • Stella Lisova,
  • Valerio Mariani,
  • Alexandra Tolstikova,
  • Sebastien Boutet,
  • Marc Messerschmidt,
  • J. Domingo Meza Aguilar,
  • Raimund Fromme,
  • Jose M. Martin-Garcia,
  • Sabine Botha,
  • Petra Fromme,
  • Thomas D. Grant,
  • Richard A. Kirian,
  • Alexandra Ros
First published:September 29, 2022
With advances in X-ray free-electron lasers (XFELs), serial femtosecond crystallography (SFX) has enabled the static and dynamic structure determination for challenging proteins such as membrane protein complexes. In SFX with XFELs, the crystals are typically destroyed after interacting with a single XFEL pulse. Therefore, thousands of new crystals must be sequentially introduced into the X-ray beam to collect full data sets. Because of the serial nature of any SFX experiment, up to 99% of the sample delivered to the X-ray beam during its ‘off-time’ between X-ray pulses is wasted due to the intrinsic pulsed nature of all current XFELs.

September 28, 2022

Report

Importance of Molecular Dynamics Equilibrium Protocol on Protein-lipid Interactions near Channel Pore

  • Wenjuan Jiang,
  • Jerome Lacroix,
  • Yun Lyna Luo
First published:September 28, 2022
Multiscale molecular dynamics (MD) simulations using Martini coarse-grained (CG) and all-atom (AA) forcer fields are commonly used in membrane protein studies. In particular, reverse-mapping an equilibrated CG model to an AA model offers an efficient way for preparing large membrane protein systems with complex protein shapes and lipid compositions. Here, we report that this hybrid CG-equilibrium-AA-production protocol may artificially increase lipid density and decrease hydration in ion channel pores walled with transmembrane gaps.
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