Active Nanophotonic Circuitry Based on Dielectric-loaded Plasmonic Waveguides
Alexey V. Krasavin, Anatoly V. Zayats
Solutions of the Two-Dimensional Hubbard Model: Benchmarks and Results from a Wide Range of Numerical Algorithms
J LeBlanc, A Antipov, F Becca, I Bulik, G Chan, Chia-Min Chung, Youjin Deng, Michel Ferrero, T Henderson, Carlos Jiménez-Hoyos, Evgeny Kozik, Xuan-Wen Liu, Andrew Millis, Nikolay Prokofiev, Mingpu Qin, Gustavo Scuseria, Hao Shi, Boris Svistunov, Luca Tocchio, Igor Tupitsyn, Steven R. White, Shiwei Zhang, Bo-Xiao Zheng, Zhenyue Zhu, Emanuel Gull
Quantum Quenches in Chern Insulators
D. Caio, N. R. Cooper, M. J. Bhaseen
Binding of Capsaicin to the TRPV1 Ion Channel
Leonardo Darre Castell, Carmen Domene
Superluminal and stopped light due to mode coupling in confined hyperbolic metamaterial waveguides
Andres D. Neira, Gregory A. Wurtz, Anatoly V. Zayats
November
Metallic nanoparticles meet metadynamics
Pavan, K. Rossi, F. Baletto
Quantitative analysis of Multiagent systems through statistical model checking
Benjamin Herd, Simon Miles, Peter McBurney, Michael Luck
Enriching Great Britain’s National Landslide Database by searching newspaper archives
Faith E. Taylor, Bruce D. Malamud, Katy Freeborough, David Demeritt
Purcell effect in hyperbolic metamaterial resonators
Alexey P. Slobozhanyuk, Pavel Ginzburg, David A. Powell, Ivan Iorsh, Alexander S. Shalin, Paulina Segovia, Alexey V. Krasavin, Gregory A. Wurtz, Viktor A. Podolskiy, Pavel A. Belov, Anatoly V. Zayats
Prediagnostic serum glucose and lipids in relation to survival in breast cancer patients
Wahyu Wulaningsih, Mariam Vahdaninia, Mark Rowley, Lars Holmberg, Hans Garmo, Håkan Malmstrom, Mats Lambe, Niklas Hammar, Göran Walldius, Ingmar Jungner, Anthonius C. Coolen, Mieke Van Hemelrijck
Assembly of Influenza Hemagglutinin Fusion Peptides in a Phospholipid Bilayer by Coarse-grained Computer Simulations
Francesca Collu, Enrico Spiga, Christian D Lorenz, Franca Fraternali
Lateral forces on circularly polarizable particles near a surface
Francisco J. Rodríguez-Fortunõ, Nader Engheta, Alejandro Martínez, Anatoly V. Zayats
Spin-orbit interactions of light
Y. Bliokh, F. J. Rodríguez-Fortuño, F. Nori, A. V. Zayats
Erratum
Saswati Ganguly, Surajit Sengupta, Peter Sollich
Switchable optical forces due to polarization-dependent spin-orbit coupling on particles near a surface
J. Rodriguez-Fortuno, N. Engheta, A. Martinez, A. V. Zayats
Levitating forces on polarized particles near anisotropic metamaterials
J. Rodriguez-Fortuno, A. V. Zayats
Hyperbolic metamaterial antenna for secondharmonic generation tomography
Paulina Segovia, Giuseppe Marino, Alexey V. Krasavin, Nicolas Olivier, Gregory A. Wurtz, Pavel A. Belov, Pavel Ginzburg, Anatoly V. Zayats
LSA SAF Meteosat FRP products-Part 2
Roberts, M. J. Wooster, W. Xu, P. H. Freeborn, J. J. Morcrette, L. Jones, A. Benedetti, H. Jiangping, D. Fisher, J. W. Kaiser
New field-based agricultural biomass burning trace gas, PM2.5, and black carbon emission ratios and factors measured in situ at crop residue fires in Eastern China
Tianran Zhang, Martin John Wooster, David C. Green, B Main
Pressure-Induced Amorphization and a New High Density Amorphous Metallic Phase in Matrix-Free Ge Nanoparticles
Niccolo R. C. Corsini, Yuanpeng Zhang, William R. Little, Ali Karatutlu, Osman Ersoy, Peter D. Haynes, Carla Molteni, Nicholas D. M. Hine, Ignacio Hernandez, Jesus Gonzaez, Fernando Rodriguez, Vadim V. Brazhkin, Andrei Sapelkin
October
Molecular Dynamics Simulations and Neutron Reflectivity as an Effective Approach To Characterize Biological Membranes and Related Macromolecular Assemblies
Leonardo Darre Castell, J. Iglesias-Fernandez, A. Kohlmeyer, H. Wacklin, Carmen Domene
Stochastic multi-configurational self-consistent field theory
Robert E. Thomas, Qiming Sun, Ali Alavi, George H. Booth
Surfactin at the Water/Air Interface and in Solution
Javier Iglesias-Fernández, Leonardo Darre Castell, Axel Kohlmeyer, Robert K. Thomas, Hsin Hui Shen, Carmen Domene
Boundary effects in finite size plasmonic crystals
I. Benetou, J. S. Bouillard, P. Segovia, W. Dickson, B. C. Thomsen, P. Bayvel, A. V. Zayats
Qualitative and Quantitative Protein Complex Prediction Through Proteome-Wide Simulations
Simone Rizzetto, Corrado Priami, Attila Csikász-Nagy
Turning Cucurbit[8]uril into a Supramolecular Nanoreactor for Asymmetric Catalysis
Lifei Zheng, Silvia Sonzini, Masyitha Ambarwati, Edina Rosta, Oren A. Scherman, Andreas Herrmann
NCG 5.0
Omer An, Giovanni M Dall’Olio, Thanos P Mourikis, Francesca Ciccarelli
An excited-state approach within full configuration interaction quantum Monte Carlo
S. Blunt, Simon D. Smart, George H. Booth, Ali Alavi
Antimicrobial peptide dendrimer interacts with phosphocholine membranes in a fluidity dependent manner
K. Lind, L Darré, C Domene, Z. Urbanczyk-Lipkowska, M. Cardenas, H. P. Wacklin
September
Structural Properties of Green Tea Catechins
Dominic Botten, Giorgia Fugallo, Franca Fraternali, Carla Molteni
Specifying the saturation temperature for the HyspIRI 4-μm channel
J. Realmuto, P. E. Dennison, M. Foote, M. S. Ramsey, M. J. Wooster, R. Wright
The Effect of Dispersion Correction on the Adsorption of CO on Metallic Nanoparticles
Jack B A Davis, Francesca Baletto, Roy L. Johnston
Tuning the effective plasma frequency of nanorod metamaterials from visible to telecom wavelengths
E. Nasir, S. Peruch, N. Vasilantonakis, W. P. Wardley, W. Dickson, G. A. Wurtz, A. V. Zayats
Low Speed Crack Propagation via Kink Formation and Advance on the Silicon (110) Cleavage Plane
James R. Kermode, Anna Gleizer, Guy Kovel, Lars Pastewka, Gábor Csányi, Dov Sherman, Alessandro De Vita
Electromigration Phenomena in Sintered Nanoparticle Ag Systems Under High Current Density
Ali Mansourian, Seyed Amir Paknejad, Wen Qiannan , Khalid Moh’D Abdalla Khtatba, Anatoly Zayats, Samjid Hassan Mannan
Dynamical behavior of a dangling bond dimer on a hydrogenated semiconductor
Szymon Godlewski, Marek Kolmer, Jakub Lis, Rafal Zuzak, Bartosz Such, Wojciech Gren, Marek Szymonski, Lev Kantorovich
Quantifying noise in mass spectrometry and yeast two-hybrid protein interaction detection experiments
Annibale, A. C C Coolen, N. Planell-Morell
Forgetting Fire: Traditional Fire Knowledge in Two Chestnut Forest Ecosystems of the Iberian Peninsula and its Implications for European Fire Management Policy
Francisco Seijo, James Millington, Robert Gray, Veronica Sanz, Jorge Lozano, Francisco Garcia-Serrano, Gabriel Sanguesa-Barreda, Jesus Julio Camarero
Random Matrix Spectra and Relaxation in Complex Networks
Reimer Kuehn
August
Anatomy of protein disorder, flexibility and disease-related mutations
Hui-Chun Lu, Sun Sook Chung, Arianna Fornili, Franca Fraternali
New fire diurnal cycle characterizations to improve fire radiative energy assessments made from MODIS observations
Andela, J. W. Kaiser, G. R. Van Der Werf, M. J. Wooster
The two-star model: exact solution in the sparse regime and condensation transition
Alessia Annibale, Owen Courtney
Coherent lattice dynamics in topological insulator Bi2 Te3 probed with time-resolved optical second-harmonic generation
Anton Y. Bykov, Tatiana V. Murzina, Nicolas Olivier, Gregory A. Wurtz, Anatoly V. Zayats
Derivation of greenhouse gas emission factors for peatlands managed for extraction in the Republic of Ireland and the United Kingdom
Thomas Smith
Large deviations of the maximum of independent and identically distributed random variables
Pierpaolo Vivo
Assembling the pieces of macromolecular complexes
Argyris Politis, Antoni J. Borysik
Hsp12p and PAU genes are involved in ecological interactions between natural yeast strains
Damaríz Rivero, Luisa Berná, Irene Stefanini, Enrico Baruffini, Agnes Bergerat, Attila Csikász-Nagy, Carlotta De Filippo, Duccio Cavalieri
July
CytoASP
Aristotelis Kittas, Amélie Barozet, Jekaterina Sereshti, Niels Grabe, Sophia Tsoka
Corrigendum to “Massive gene amplification drives paediatric hepatocellular carcinoma caused by bile salt export pump deficiency”
Fabio Iannelli, Agnese Collino, Shruti Sinha, Enrico Radaelli, Paola Nicoli, Lorenzo D’Antiga, Aurelio Sonzogni, Jamila Faivre, Marie Annick Buendia, Ekkehard Sturm, Richard J Thompson, A S Knisely, Gioacchino Natoli, Serena Ghisletti, Francesca D Ciccarelli
A unified fluctuation formula for one-cut β-ensembles of random matrices
Fabio Deelan Cunden, Francesco Mezzadri, Pierpaolo Vivo
Eliminating material constraints for nonlinearity with plasmonic metamaterials
Andres Barbosa Neira, Nicolas Olivier, Mazhar E. Nasir, Wayne Dickson, Gregory A. Wurtz, Anatoly V. Zayats
Neutron Scattering Studies of the Effects of Formulating Amphotericin B with Cholesteryl Sulfate on the Drug’s Interactions with Phospholipid and Phospholipid-Sterol Membranes
Foglia, S. E. Rogers, J. R P Webster, F. A. Akeroyd, K. F. Gascoyne, M. J. Lawrence, D. J. Barlow
Band-filling effect on magnetic anisotropy using a Green’s function method
Liqin Ke, Mark Van Schilfgaarde
Trading in markets with noisy information
Daan Bloembergen, Daniel Hennes, Peter McBurney, Karl Tuyls
Krylov-Projected Quantum Monte Carlo Method
Nicholas Blunt, Ali Alavi, George Booth
June
Invariant sums of random matrices and the onset of level repulsion
Zdzislaw Burda, Giacomo Livan, Pierpaolo Vivo
Meteosat SEVIRI Fire Radiative Power (FRP) Products from the Land Surface Analysis Satellite Applications Facility (LSA SAF): Part 1 – Algorithms, Product Contents & Analysis
J. Wooster, G. Roberts, P.H. Freeborn, W. Xu, Y. Govaerts, R. Beeby, J. He, A. Lattanzio, R. Mullen
Statistics of non-affine defect precursors
Saswati Ganguly, Surajit Sengupta, Peter Sollich
Emergent BCS regime of the two-dimensional fermionic Hubbard model
Youjin Deng, Evgeny Kozik, Nikolay V. Prokof’Ev, Boris V. Svistunov
Non-affine fluctuations and the statistics of defect precursors in the planar honeycomb lattice
Amartya Mitra, Saswati Ganguly, Surajit Sengupta, Peter Sollich
The mortality rates and the space-time patterns of John Snow’s cholera epidemic map
Narushige Shiode, Shino Shiode, Elodie Rod-Thatcher, Sanjay Rana, Peter Vinten-Johansen
Effective interactions and large deviations in stochastic processes
L. Jack, Peter Sollich
Skin Lipids
Enamul H. Mojumdar, Gert S. Gooris, David J. Barlow, M. Jayne Lawrence, Bruno Deme, Joke A. Bouwstra
Atomistic Description of Pressure-Driven Flow of Aqueous Salt Solutions through Charged Silica Nanopores
Neil R. Haria, Christian D. Lorenz
Energy flow in quantum critical systems far from equilibrium
J. Bhaseen, Benjamin Doyon, Andrew Lucas, Koenraad Schalm
Editorial for the Special Issue of Statistical Methods in Medical Research at the occasion of the 10th Anniversary of the Southampton Statistical Sciences Research Institute
Dankmar Böhning, Steven G. Gilmour, Peter W F Smith
Transform-both-sides nonlinear models for in vitro pharmacokinetic experiments
H M Mahbub Latif, Steven G. Gilmour
Module-based construction of plasmids for chromosomal integration of the fission yeast Schizosaccharomyces pombe
Yasutaka Kakui, Tomonari Sunaga, Kunio Arai, James Dodgson, Liang Ji, Attila Csikász-Nagy, Rafael Carazo-Salas, Masamitsu Sato
May
Effect of disorder on Raman scattering of single-layer Mo S2
Sandro Mignuzzi, Andrew J. Pollard, Nicola Bonini, Barry Brennan, Ian S. Gilmore, Marcos A. Pimenta, David Richards, Debdulal Roy
Reversible hydration of CH3NH3PbI3 in films, single crystals, and solar cells
Aurélien M A Leguy, Yinghong Hu, Mariano Campoy-Quiles, M. Isabel Alonso, Oliver J. Weber, Pooya Azarhoosh, Mark Van Schilfgaarde, Mark T. Weller, Thomas Bein, Jenny Nelson, Pablo Docampo, Piers R F Barnes
Semi-stochastic full configuration interaction quantum Monte Carlo
S. Blunt, Simon D. Smart, J. A. F. Kersten, George H. Booth, Ali Alavi
On the accuracy of density functional theory and wave function methods for calculating vertical ionization energies
Scott McKechnie, George H. Booth, Aron J. Cohen, Jacqueline M. Cole
Blocking the Passage
Matteo Calvaresi, Simone Furini, Carmen Domene, Andrea Bottoni, Francesco Zerbetto
Characterization of functional methylomes by next-generation capture sequencing identifies novel disease-associated variants
Fiona Allum, Xiaojian Shao, Frédéric Guénard, Marie Michelle Simon, Stephan Busche, Maxime Caron, John Lambourne, Julie Lessard, Karolina Tandre, Åsa K. Hedman, Tony Kwan, Bing Ge, Lars Rönnblom, Mark I. McCarthy, Panos Deloukas, Todd Richmond, Daniel Burgess, Timothy D. Spector, André Tchernof, Simon Marceau, Mark Lathrop, Marie Claude Vohl, Tomi Pastinen, Elin Grundberg, Kourosh R. Ahmadi, Chrysanthi Ainali, Amy Barrett, Veronique Bataille, Jordana T. Bell, Alfonso Buil, Emmanouil T. Dermitzakis, Antigone S. Dimas, Richard Durbin, Daniel Glass, Neelam Hassanali, Catherine Ingle, David Knowles, Maria Krestyaninova, Cecilia M. Lindgren, Christopher E. Lowe, Eshwar Meduri, Paola Di Meglio, Josine L. Min, Stephen B. Montgomery, Frank O. Nestle, Alexandra C. Nica, James Nisbet, Stephen O’Rahilly, Leopold Parts, Simon Potter, Johanna Sandling, Magdalena Sekowska, So Youn Shin, Kerrin S. Small, Nicole Soranzo, Gabriela Surdulescu, Mary E. Travers, Loukia Tsaprouni, Sophia Tsoka, Alicja Wilk, Tsun Po Yang, Krina T. Zondervan
The average number of distinct sites visited by a random walker on random graphs
Caterina De Bacco, Satya N. Majumdar, Peter Sollich
Modelling the emergence of polarity patterns for the intercellular transport of auxin in plants
Silvia Grigolon, Peter Sollich, Olivier C. Martin
The role of isomerization in the kinetics of self-assembly
David Abbasi-Pérez, J. Manuel Recio, Lev Kantorovich
Light emission in nonlocal plasmonic nanowire metamaterials
Brian M. Wells, Pavel Ginzburg, Anatoly Zayats, Viktor A. Podolskiy
April
Models of breast morphogenesis based on localization of stem cells in the developing mammary lobule
Gabriella Honeth, Tommaso Schiavinotto, Federico Vaggi, Rebecca Marlow, Tokuwa Kanno, Ireneusz Shinomiya, Sara Lombardi, Bharath Buchupalli, Rosalind Graham, Patrycja Gazinska, Vernie Ramalingam, Joy Burchell, Anand D Purushotham, Sarah E Pinder, Attila Csikasz-Nagy, Gabriela Dontu
Nonexistence of the Luttinger-Ward functional and misleading convergence of skeleton diagrammatic series for hubbard-like models
Evgeny Kozik, Michel Ferrero, Antoine Georges
Large-scale fluctuations of the largest Lyapunov exponent in diffusive systems
Laffargue, P. Sollich, J. Tailleur, F. Van Wijland
Increased signaling entropy in cancer requires the scale-free property of protein interaction networks
Andrew E. Teschendorff, Christopher R S Banerji, Simone Severini, Reimer Kuehn, Peter Sollich
Dynamics and instantaneous normal modes in a liquid with density anomalies
P. Ciamarra, P. Sollich
Quantifying pyroconvective injection heights using observations of fire energy
Gonzi, P. I. Palmer, R. Paugam, M. Wooster, M. N. Deeter
Improved split-plot and multistratum designs
Luzia A. Trinca, Steven G. Gilmour
視覚的伝達
Narushige Shiode, Shino Shiode
In Silico Identification of PAP-1 Binding Sites in the Kv1.2 Potassium Channel
Christian Jorgensen, Leonardo Darre, Kenno Vanommeslaeghe, Kiyoyuki Omoto, David Pryde, Carmen Domene
Bias-Exchange Metadynamics Simulations
Carmen Domene, Paolo Barbini, Simone Furini
Elucidating ligand binding and channel gating mechanisms in pentameric ligand-gated ion channels by atomistic simulations
Federico Comitani, Claudio Melis, Carla Molteni
March
Contagion in an Interacting Economy
Pierre Paga, Reimer Kühn
Optimizing Strontium Ruthenate Thin Films for Near-Infrared Plasmonic Applications
Laurentiu Braic, Nikolaos Vasilantonakis, Bin Zou, Stefan A. Maier, Neil McN Alford, Anatoly V. Zayats, Peter K. Petrov
Asymptotic variance of stationary reversible and normal Markov processes
Georgios Deligiannidis, Magda Peligrad, Sergey Utev
Scattering suppression from arbitrary objects in spatially dispersive layered metamaterials
Alexander S. Shalin, Pavel Ginzburg, Alexey A. Orlov, Ivan Iorsh, Pavel A. Belov, Yuri S. Kivshar, Anatoly V. Zayats
Space-time characteristics of micro-scale crime occurrences along a street network: an application of a network-based space-time search window technique for the analysis of crime incidents in Chicago
Shino Shiode, Narushige Shiode, Richard Block, Carolyn Block
Current through a multilead nanojunction in response to an arbitrary time-dependent bias
Michael Ridley, Angus Mackinnon, Lev Kantorovich
Spectra of random stochastic matrices and relaxation in complex systems
Reimer Kühn
Non-equilibrium steady states in the Klein-Gordon theory
Benjamin Doyon, Andrew Lucas, Koenraad Schalm, M. J. Bhaseen
Molecular dynamics with on-the-fly machine learning of quantum-mechanical forces
Zhenwei Li, James R. Kermode, Alessandro De Vita
February
Simulated structure and imaging of NTCDI on Si(111)-7× 7
P. Jarvis, A. M. Sweetman, I. Lekkas, N. R. Champness, L. Kantorovich, P. Moriarty
Pooled Sequencing of 531 Genes in Inflammatory Bowel Disease Identifies an Associated Rare Variant in BTNL2 and Implicates Other Immune Related Genes
Natalie J Prescott, Benjamin Lehne, Kristina Stone, James C Lee, Kirstin Taylor, Jo Knight, Efterpi Papouli, Muddassar M Mirza, Michael A Simpson, Sarah L Spain, Grace Lu, Franca Fraternali, Suzannah J Bumpstead, Emma Gray, Ariella Amar, Hannah Bye, Peter Green, Guy Chung-Faye, Bu’Hussain Hayee, Richard Pollok, Jack Satsangi, Miles Parkes, Jeffrey C Barrett, John C Mansfield, Jeremy Sanderson, Cathryn M Lewis, Michael E Weale, Thomas Schlitt, Christopher G Mathew,
Accuracy of buffered-force QM/MM simulations of silica
Anke Peguiron, Lucio Colombi Ciacchi, Alessandro De Vita, James R. Kermode, Gianpietro Moras
Bridging topological and functional information in protein interaction networks by short loops profiling
Sun Sook Chung, Alessandro Pandini, Alessia Annibale, Anthony C. C. Coolen, N Shaun B Thomas, Franca Fraternali
Non-equilibrium conformal field theories with impurities
Bernard, B. Doyon, J. Viti
Hyperuniformity and phase separation in biased ensembles of trajectories for diffusive systems
Robert L. Jack, Ian R. Thompson, Peter Sollich
Pathway-level disease data mining through hyper-box principles
Lingjian Yang, Chrysanthi Ainali, Aristotelis Kittas, Frank Nestle, Lazaros G. Papageorgiou, Sophia Tsoka
January
Non-Equilibrium Steady States in Conformal Field Theory
Denis Bernard, Benjamin Doyon
Parabolic dunes and their transformations under environmental and climatic changes
Na Yan, Andreas C W Baas
Free Energies from Dynamic Weighted Histogram Analysis Using Unbiased Markov State Model
Edina Rosta, Gerhard Hummer
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Yihan Shao, Zhengting Gan, Evgeny Epifanovsky, Andrew T B Gilbert, Michael Wormit, Joerg Kussmann, Adrian W. Lange, Andrew Behn, Jia Deng, Xintian Feng, Debashree Ghosh, Matthew Goldey, Paul R. Horn, Leif D. Jacobson, Ilya Kaliman, Rustam Z. Khaliullin, Tomasz Kus̈, Arie Landau, Jie Liu, Emil I. Proynov, Young Min Rhee, Ryan M. Richard, Mary A. Rohrdanz, Ryan P. Steele, Eric J. Sundstrom, H. Lee Woodcock, Paul M. Zimmerman, Dmitry Zuev, Ben Albrecht, Ethan Alguire, Brian Austin, Gregory J O Beran, Yves A. Bernard, Eric Berquist, Kai Brandhorst, Ksenia B. Bravaya, Shawn T. Brown, David Casanova, Chun Min Chang, Yunqing Chen, Siu Hung Chien, Kristina D. Closser, Deborah L. Crittenden, Michael Diedenhofen, Robert A. Distasio, Hainam Do, Anthony D. Dutoi, Richard G. Edgar, Shervin Fatehi, Laszlo Fusti-Molnar, An Ghysels, Anna Golubeva-Zadorozhnaya, Joseph Gomes, Magnus W D Hanson-Heine, Philipp H P Harbach, Andreas W. Hauser, Edward G. Hohenstein, Zachary C. Holden, Thomas C. Jagau, Hyunjun Ji, Benjamin Kaduk, Kirill Khistyaev, Jaehoon Kim, Jihan Kim, Rollin A. King, Phil Klunzinger, Dmytro Kosenkov, Tim Kowalczyk, Caroline M. Krauter, Ka Un Lao, Adèle D. Laurent, Keith V. Lawler, Sergey V. Levchenko, Ching Yeh Lin, Fenglai Liu, Ester Livshits, Rohini C. Lochan, Arne Luenser, Prashant Manohar, Samuel F. Manzer, Shan Ping Mao, Narbe Mardirossian, Aleksandr V. Marenich, Simon A. Maurer, Nicholas J. Mayhall, Eric Neuscamman, C. Melania Oana, Roberto Olivares-Amaya, Darragh P. Oneill, John A. Parkhill, Trilisa M. Perrine, Roberto Peverati, Alexander Prociuk, Dirk R. Rehn, Edina Rosta, Nicholas J. Russ, Shaama M. Sharada, Sandeep Sharma, David W. Small, Alexander Sodt, Tamar Stein, David Stück, Yu Chuan Su, Alex J W Thom, Takashi Tsuchimochi, Vitalii Vanovschi, Leslie Vogt, Oleg Vydrov, Tao Wang, Mark A. Watson, Jan Wenzel, Alec White, Christopher F. Williams, Jun Yang, Sina Yeganeh, Shane R. Yost, Zhi Qiang You, Igor Ying Zhang, Xing Zhang, Yan Zhao, Bernard R. Brooks, Garnet K L Chan, Daniel M. Chipman, Christopher J. Cramer, William A. Goddard, Mark S. Gordon, Warren J. Hehre, Andreas Klamt, Henry F. Schaefer, Michael W. Schmidt, C. David Sherrill, Donald G. Truhlar, Arieh Warshel, Xin Xu, Alán Aspuru-Guzik, Roi Baer, Alexis T. Bell, Nicholas A. Besley, Jeng Da Chai, Andreas Dreuw, Barry D. Dunietz, Thomas R. Furlani, Steven R. Gwaltney, Chao Ping Hsu, Yousung Jung, Jing Kong, Daniel S. Lambrecht, Wanzhen Liang, Christian Ochsenfeld, Vitaly A. Rassolov, Lyudmila V. Slipchenko, Joseph E. Subotnik, Troy Van Voorhis, John M. Herbert, Anna I. Krylov, Peter M W Gill, Martin Head-Gordon
Characterization of the aggregates formed by various bacterial lipopolysaccharides in solution and upon interaction with antimicrobial peptides
Gianluca Bello, Jonny Eriksson, Ann Terry, Katarina Edwards, M. Jayne Lawrence, David Barlow, Richard D. Harvey
Nonperturbative hydrodynamic model for multiple harmonics generation in metallic nanostructures
Pavel Ginzburg, Alexey V. Krasavin, Gregory A. Wurtz, Anatoly V. Zayats
Topological models of heteromeric protein assemblies from mass spectrometry
Anargyros Politis, Carla Schmidt, Elina Tjioe, Alan M. Sandercock, Keren Lasker, Yuliya Gordiyenko, Daniel Russel, Andrej Sali, Carol V. Robinson
Conduction and Selectivity in Na+ Channels Analyzed by Bias-Exchange Metadynamics Simulations
Simone Furini, Paolo Barbini, Carmen Domene
Permeation and Dynamics of an Open-Activated TRPV1 Channel
Leonardo Darré, Simone Furini, Carmen Domene
Applications of the generalized Langevin equation
Ness, L. Stella, C. D. Lorenz, L. Kantorovich
Utility based framework for optimal network measurement
Ben M. Parker, Steven G. Gilmour, John Schormans