Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Lisa E. Felberg"'
Autor:
Robert Konecny, David Ryan Koes, Nathan A. Baker, Jens Erik Nielsen, Dave Engel, Kyle E. Monson, Robert Krasny, Peter Li, Lisa E. Felberg, Karina Liles, Juan Brandi, David H. Brookes, J. Andrew McCammon, Guo-Wei Wei, Leighton Wilson, Minju Chun, Michael Holst, Elizabeth Jurrus, Todd J. Dolinsky, Teresa Head-Gordon, Weihua Geng, Keith T. Star, Jiahui Chen, David W. Gohara
Publikováno v:
Protein science : a publication of the Protein Society, vol 27, iss 1
Jurrus, E; Engel, D; Star, K; Monson, K; Brandi, J; Felberg, LE; et al.(2018). Improvements to the APBS biomolecular solvation software suite. Protein Science, 27(1), 112-128. doi: 10.1002/pro.3280. UC San Diego: Retrieved from: http://www.escholarship.org/uc/item/3cg341d5
Jurrus, E; Engel, D; Star, K; Monson, K; Brandi, J; Felberg, LE; et al.(2018). Improvements to the APBS biomolecular solvation software suite. Protein Science, 27(1), 112-128. doi: 10.1002/pro.3280. UC San Diego: Retrieved from: http://www.escholarship.org/uc/item/3cg341d5
© 2017 The Protein Society The Adaptive Poisson–Boltzmann Solver (APBS) software was developed to solve the equations of continuum electrostatics for large biomolecular assemblages that have provided impact in the study of a broad range of chemica
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6bc0647139a37cb36f141e1a3b52dbce
https://escholarship.org/uc/item/3cg341d5
https://escholarship.org/uc/item/3cg341d5
Publikováno v:
ACS nano, vol 12, iss 1
Ruiz Pestana, L; Felberg, LE; & Head-Gordon, T. (2018). Coexistence of Multilayered Phases of Confined Water: The Importance of Flexible Confining Surfaces. ACS Nano, 12(1), 448-454. doi: 10.1021/acsnano.7b06805. UC Berkeley: Retrieved from: http://www.escholarship.org/uc/item/1ff7n1z6
Ruiz Pestana, L; Felberg, LE; & Head-Gordon, T. (2018). Coexistence of Multilayered Phases of Confined Water: The Importance of Flexible Confining Surfaces. ACS Nano, 12(1), 448-454. doi: 10.1021/acsnano.7b06805. UC Berkeley: Retrieved from: http://www.escholarship.org/uc/item/1ff7n1z6
© 2017 American Chemical Society. Flexible nanoscale confinement is critical to understanding the role that bending fluctuations play on biological processes where soft interfaces are ubiquitous or to exploit confinement effects in engineered system
Autor:
Lisa E. Felberg
Author(s): Felberg, Lisa E. | Advisor(s): Head-Gordon, Teresa | Abstract: The interplay of molecular simulations and experiment have been instrumental in the last decade in establishing quantitative understanding of the physics underlying molecular p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fd6ab8ccec186ac8d02b669363ea50b4
https://doi.org/10.2172/1488415
https://doi.org/10.2172/1488415
Autor:
Eng Hui Yap, Elizabeth Jurrus, David H. Brookes, Lisa E. Felberg, Teresa Head-Gordon, Nathan A. Baker
Publikováno v:
Journal of computational chemistry, vol 38, iss 15
Felberg, LE; Brookes, DH; Yap, EH; Jurrus, E; Baker, NA; & Head-Gordon, T. (2017). PB-AM: An open-source, fully analytical linear poisson-boltzmann solver. Journal of Computational Chemistry, 38(15), 1275-1282. doi: 10.1002/jcc.24528. UC Berkeley: Retrieved from: http://www.escholarship.org/uc/item/7qn8w312
Felberg, LE; Brookes, DH; Yap, EH; Jurrus, E; Baker, NA; & Head-Gordon, T. (2017). PB-AM: An open-source, fully analytical linear poisson-boltzmann solver. Journal of Computational Chemistry, 38(15), 1275-1282. doi: 10.1002/jcc.24528. UC Berkeley: Retrieved from: http://www.escholarship.org/uc/item/7qn8w312
© 2016 Wiley Periodicals, Inc. We present the open source distributed software package Poisson-Boltzmann Analytical Method (PB-AM), a fully analytical solution to the linearized PB equation, for molecules represented as non-overlapping spherical cav
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8a0c168d36e06fc558d2bce7f75ec4b3
https://escholarship.org/uc/item/7qn8w312
https://escholarship.org/uc/item/7qn8w312
Autor:
Lisa E. Felberg, Victoria A. Piunova, Amber C. Carr, William C. Swope, Teresa Head-Gordon, Julia E. Rice
Publikováno v:
The journal of physical chemistry. B, vol 121, iss 13
Carr, AC; Felberg, LE; Piunova, VA; Rice, JE; Head-Gordon, T; & Swope, WC. (2017). Effect of Hydrophobic Core Topology and Composition on the Structure and Kinetics of Star Polymers: A Molecular Dynamics Study. Journal of Physical Chemistry B, 121(13), 2902-2918. doi: 10.1021/acs.jpcb.7b00865. UC Berkeley: Retrieved from: http://www.escholarship.org/uc/item/6348r599
Carr, AC; Felberg, LE; Piunova, VA; Rice, JE; Head-Gordon, T; & Swope, WC. (2017). Effect of Hydrophobic Core Topology and Composition on the Structure and Kinetics of Star Polymers: A Molecular Dynamics Study. Journal of Physical Chemistry B, 121(13), 2902-2918. doi: 10.1021/acs.jpcb.7b00865. UC Berkeley: Retrieved from: http://www.escholarship.org/uc/item/6348r599
© 2017 American Chemical Society. We present a molecular dynamics study of the effect of core chemistry on star polymer structural and kinetic properties. This work serves to validate the choice of a model adamantane core used in previous simulation
Autor:
Greg L. Hura, Anjali Doshi, Robert D. Miller, Teresa Head-Gordon, Lisa E. Felberg, Victoria A. Piunova, William C. Swope, Julia E. Rice, Joseph Sly
Publikováno v:
Molecular Physics, vol 114, iss 21
Felberg, LE; Doshi, A; Hura, GL; Sly, J; Piunova, VA; Swope, WC; et al.(2016). Structural transition of nanogel star polymers with pH by controlling PEGMA interactions with acid or base copolymers. Molecular Physics, 114(21), 3221-3231. doi: 10.1080/00268976.2016.1224942. UC Berkeley: Retrieved from: http://www.escholarship.org/uc/item/0f92p2v5
Felberg, LE; Doshi, A; Hura, GL; Sly, J; Piunova, VA; Swope, WC; et al.(2016). Structural transition of nanogel star polymers with pH by controlling PEGMA interactions with acid or base copolymers. Molecular Physics, 114(21), 3221-3231. doi: 10.1080/00268976.2016.1224942. UC Berkeley: Retrieved from: http://www.escholarship.org/uc/item/0f92p2v5
© 2016 Informa UK Limited, trading as Taylor & Francis Group. We use small angle X-ray scattering (SAXS) to characterise a class of star diblock polymers with a nanogel core on which the outer block arms are comprised of random copolymers of tempera
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d87056494a6804f53b99abb24f919c04
https://escholarship.org/uc/item/0f92p2v5
https://escholarship.org/uc/item/0f92p2v5
Publikováno v:
ECS Transactions. 50:2053-2058
Anionic fuel cells are a promising energy technology that maintain many of the benefits of protonic fuel cells with additional fuel versatility beyond H2 and without requiring expensive platinum catalysts. Despite the advantages, anionic fuel cells h
Publikováno v:
The journal of physical chemistry. B, vol 119, iss 3
Felberg, LE; Brookes, DH; Head-Gordon, T; Rice, JE; & Swope, WC. (2015). Role of hydrophilicity and length of diblock arms for determining star polymer physical properties. Journal of Physical Chemistry B, 119(3), 944-957. doi: 10.1021/jp506203k. UC Berkeley: Retrieved from: http://www.escholarship.org/uc/item/8qq0n0zv
Felberg, LE; Brookes, DH; Head-Gordon, T; Rice, JE; & Swope, WC. (2015). Role of hydrophilicity and length of diblock arms for determining star polymer physical properties. Journal of Physical Chemistry B, 119(3), 944-957. doi: 10.1021/jp506203k. UC Berkeley: Retrieved from: http://www.escholarship.org/uc/item/8qq0n0zv
© 2014 American Chemical Society. We present a molecular simulation study of star polymers consisting of 16 diblock copolymer arms bound to a small adamantane core by varying both arm length and the outer hydrophilic block when attached to the same
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d1b04ffc24d4f0af488549b1819317d0
https://escholarship.org/uc/item/8qq0n0zv
https://escholarship.org/uc/item/8qq0n0zv
Autor:
Andrew M. Herring, Lisa E. Felberg, Yuan Yang, Himanshu N. Sarode, Gerrick E. Lindberg, Gregory A. Voth
Publikováno v:
The journal of physical chemistry. B. 118(5)
This study focuses on understanding the relative effects of ammonium substituent groups (we primarily consider tetramethylammonium, benzyltrimethylammonium, and tetraethylammonium cations) and anion species (OH(-), HCO3(-), CO3(2-), Cl(-), and F(-))
Autor:
Lisa E. Felberg
Publikováno v:
Biophysical Journal. (2):412a-413a
While molecular dynamics (MD) simulations routinely and beneficially address questions focused on detailed atomistic chemistry, structure, and kinetics over fast timescales, there exists another set of problems on the mesoscale, where limitations of