J
J. Alfredo Freites
Researcher at University of California, Irvine
Publications - 58
Citations - 5306
J. Alfredo Freites is an academic researcher from University of California, Irvine. The author has contributed to research in topics: Lipid bilayer & Membrane. The author has an hindex of 22, co-authored 53 publications receiving 4461 citations. Previous affiliations of J. Alfredo Freites include University of Maryland, College Park & University of California, Berkeley.
Papers
More filters
Journal ArticleDOI
Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types
Jeffery B. Klauda,Richard M. Venable,J. Alfredo Freites,Joseph W. O’Connor,Douglas J. Tobias,Carlos Mondragon-Ramirez,Igor Vorobyov,Alexander D. MacKerell,Richard W. Pastor +8 more
TL;DR: The presented lipid FF is developed and applied to phospholipid bilayers with both choline and ethanolamine containing head groups and with both saturated and unsaturated aliphatic chains and is anticipated to be of utility for simulations of pure lipid systems as well as heterogeneous systems including membrane proteins.
Journal ArticleDOI
Interface connections of a transmembrane voltage sensor
TL;DR: A molecular dynamics simulation of an isolated TM S4 helix in a lipid bilayer reveals a stabilizing hydrogen-bonded network of water and lipid phosphates around the arginines that suggests that bilayer phospholipids can adapt locally to strongly perturbing protein elements, causing the phospholIPids to become a structural extension of the protein.
Journal ArticleDOI
Structure and hydration of membranes embedded with voltage-sensing domains
Dmitriy Krepkiy,Mihaela Mihailescu,J. Alfredo Freites,Eric V. Schow,David L. Worcester,David L. Worcester,Klaus Gawrisch,Douglas J. Tobias,Stephen H. White,Kenton J. Swartz +9 more
TL;DR: These structural findings indicate that voltage sensors have evolved to interact with the lipid membrane while keeping energetic and structural perturbations to a minimum, and that water penetrates the membrane, to hydrate charged residues and shape the transmembrane electric field.
Journal ArticleDOI
Arginine in Membranes: The Connection Between Molecular Dynamics Simulations and Translocon-Mediated Insertion Experiments
Eric V. Schow,J. Alfredo Freites,Philip Cheng,Andreas Bernsel,Gunnar von Heijne,Stephen H. White,Douglas J. Tobias +6 more
TL;DR: Two thermodynamic scenarios are presented as a foundation for reconciliation of the simulation and molecular biology results and show that the energetic discrepancy is reduced, but not eliminated, by considering free energy differences between Arg at the interface and at the center of the model helices.
Journal ArticleDOI
Allosteric mechanism of water-channel gating by Ca2+–calmodulin
Steve L. Reichow,Daniel M. Clemens,J. Alfredo Freites,Karin L. Németh-Cahalan,Matthias Heyden,Douglas J. Tobias,James E. Hall,Tamir Gonen +7 more
TL;DR: The mechanistic model provides new insight, only possible in the context of the fully assembled channel, into how CaM regulates multimeric channels by facilitating cooperativity between adjacent subunits.