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We compute partial structure factors, Kirkwood-Buff integrals (KBIs) and chemical potentials of model supercooled liquids with and without attractive interactions. We aim at investigating whether relatively small differences in the tail of…

Soft Condensed Matter · Physics 2022-03-04 Atreyee Banerjee , Mauricio Sevilla , Joseph F. Rudzinski , Robinson Cortes-Huerto

Closed analytical expressions for scattering intensity and other global structure factors are derived for a new solvable model of polydisperse sticky hard spheres. The starting point is the exact solution of the ``mean spherical…

Statistical Mechanics · Physics 2009-10-31 Domenico Gazzillo , Achille Giacometti

The three dimensional structure of a protein is an outcome of the interactions of its constituent amino acids in 3D space. Considering the amino acids as nodes and the interactions among them as edges we have constructed and analyzed…

Biomolecules · Quantitative Biology 2010-07-26 Dhriti Sengupta , Sudip Kundu

We determine the structure of charge-stabilized colloidal suspensions at low ionic strength over an extended range of particle volume fractions using a combination of light and small angle neutron scattering experiments. The variation of…

We have performed small-angle light-scattering measurements of the static structure factor of a critical binary mixture undergoing diffusive partial remixing. An uncommon scattering geometry integrates the structure factor over the sample…

Statistical Mechanics · Physics 2009-10-31 Pietro Cicuta , Alberto Vailati , Marzio Giglio

Monoclonal antibody solutions are set to become a major therapeutic tool in the years to come, capable of targeting various diseases by clever designing their antigen binding site. However, the formulation of stable solutions suitable for…

This work reports a new methodology aimed at describing characteristics of protein structural shapes, and suggests a framework in which to resolve or classify automatically such structures into known families. This new approach to protein…

Quantitative Methods · Quantitative Biology 2007-05-23 Marconi Soares Barbosa , Rinaldo Wander Montalvao , Tom Blundell , Luciano da Fontoura Costa

Scattering structure factors provide essential insight into material properties and are routinely obtained in experiments, computer simulations, and theoretical analyses. Different approaches favor different geometries of the material. In…

Soft Condensed Matter · Physics 2018-05-15 Yongtian Luo , Lutz Maibaum

Protein-Protein Interactions (PPIs) are fundamental in various biological processes and play a key role in life activities. The growing demand and cost of experimental PPI assays require computational methods for efficient PPI prediction.…

Machine Learning · Computer Science 2024-02-23 Lirong Wu , Yijun Tian , Yufei Huang , Siyuan Li , Haitao Lin , Nitesh V Chawla , Stan Z. Li

In structure-based models of proteins, one often assumes that folding is accomplished when all contacts are established. This assumption may frequently lead to a conceptual problem that folding takes place in a temperature region of very…

Biomolecules · Quantitative Biology 2016-05-23 Karol Wołek , Marek Cieplak

The biological activity and functional specificity of proteins depend on their native three-dimensional structures determined by inter- and intra-molecular interactions. In this paper, we investigate the geometrical factor of protein…

Biological Physics · Physics 2012-03-02 Ming-Chya Wu , Mai Suan Li , Wen-Jong Ma , Maksim Kouza , Chin-Kun Hu

The protein-protein interactions (PPIs) are crucial for understanding the majority of cellular processes. PPIs play important role in gene transcription regulation, cellular signaling, molecular basis of immune response and more. Moreover,…

Biomolecules · Quantitative Biology 2016-05-31 Maciej Pawel Ciemny , Mateusz Kurcinski , Andrzej Kolinski , Sebastian Kmiecik

We investigate structure functions in deep inelastic scattering processes (DIS) at Bj\"{o}rken limit and found that they are factorized into the longitudinal and transversal parts. We see that the longitudinal part can be linked to exact…

High Energy Physics - Phenomenology · Physics 2025-03-18 H. Babujian , M. Karowski , A. Sedrakyan

We investigate the local structure factor $S(z;q)$ at a free liquid-gas interface in systems with short-ranged intermolecular forces and determine the corrections to the leading-order, capillary-wave-like, Goldstone mode divergence of…

Statistical Mechanics · Physics 2016-05-25 A. O. Parry , C. Rascón , R. Evans

Self-interacting dark matter has been proposed as a solution to the small-scale structure problems, such as the observed flat cores in dwarf and low surface brightness galaxies. If scattering takes place through light mediators, the…

High Energy Physics - Phenomenology · Physics 2017-03-30 Mattias Blennow , Stefan Clementz , Juan Herrero-Garcia

The ''polymer reference interaction site model'' (PRISM) integral equation theory is used to determine the structure factor of rigid dendrimers in solution. The theory is quite successful in reproducing experimental structure factors for…

Soft Condensed Matter · Physics 2009-11-13 L. Harnau , S. Rosenfeldt , M. Ballauff

The effect of molecule size (excluded volume) and the range of interaction on the surface tension, phase diagram and nucleation properties of a model globular protein is investigated using a combinations of Monte Carlo simulations and…

Statistical Mechanics · Physics 2015-03-13 Patrick Grosfils , James F. Lutsko

The understanding of the type of inhibitory interaction plays an important role in drug design. Therefore, researchers are interested to know whether a drug has competitive or non-competitive interaction to particular protein targets.…

Despite the recognized importance of the multi-scale spatio-temporal organization of proteins, most computational tools can only access a limited spectrum of time and spatial scales, thereby ignoring the effects on protein behavior of the…

Biomolecules · Quantitative Biology 2011-09-21 Antoine Delmotte , Edward W Tate , Sophia N Yaliraki , Mauricio Barahona

The cellular basis for the adaptive immune response during antigen recognition relies on a specialized protein interface known as the immunological synapse (IS). Understanding the biophysical basis for protein patterning by deciphering the…

Biological Physics · Physics 2016-02-17 Andreas Carlson , L. Mahadevan