21 papers · ranked by Valyu relevance
Javier Fumanal Idocin, Óscar Cordón, María Minárová, Amparo Alonso Betanzos + 1 more
'Amparo Alonso Betanzos' 'Humberto Bustince'] Social network analysis is a popular discipline among the social and behavioural sciences, in which the relationships between different social entities are modelled as a network. One of the most popular problems in social network analysis is finding communities in its…
Jean Marie Tshimula, Belkacem Chikhaoui, Shengrui Wang
Psychology research findings suggest that personality is related to differences in friendship characteristics and that some personality traits correlate with linguistic behavior. In this paper, we investigate the influence that personality may have on affinity formation. To this end, we derive affinity relationships…
Danislav S. Spassov, Haralampos Tzoupis
Binding affinity is a fundamental parameter in drug design, describing the strength of the interaction between a molecule and its target protein. Accurately predicting binding affinity is crucial for the rapid development of novel therapeutics, the prioritization of promising candidates, and the optimization of their…
Miao He, Xiaoming John Zhang, Krzysztof Malarz
We propose two analytical relationships between affinity and opinion change. The first one focuses on value homophily, while the second one incorporates affinity in opinion dynamics. Three analytical test models are derived based on these relationships: the value homophily model, the temporal evolution of opinion…
Keyu Xu, Zeyuan Di, Jianquan Zhao, Haicang Zhang + 1 more
Proteins are essential biological macromolecules that play a crucial role in living organisms. Protein-protein interactions, which govern various biological processes such as signal transduction, cell metabolism, and cell growth, are key aspect of protein function. The strength of these interactions, characterized by…
Ye Yuan, Qushuo Chen, Jun Mao, Guipeng Li + 1 more
Background Antibody-mediated immune responses play a crucial role in the immune defense of human body. The evolution of bioengineering has led the progress of antibody-derived drugs, showing promising efficacy in cancer and autoimmune disease therapy. A critical step of this development process is obtaining the…
Dani Rodríguez-Castellanos, Petr Jizba
We develop a thermodynamic framework for non-equilibrium affinities based on generalized entropies. In particular, we extend the classical concept of De Donder by introducing $q$-affinities associated with Rényi and Tsallis entropies. This in turn allows us to generalize thermodynamic driving forces to systems with…
Nedra Mekni, Hosein Fooladi, Ugo Perricone, Thierry Langer
Machine learning models are employed to enhance the speed and provide novel insights in drug discovery due to their demonstrated effectiveness in predicting properties of small molecules like pKa, solubility, and binding affinity. These approaches accelerate drug discovery by helping researchers efficiently identify…
Md. Aktar Hossain, Saima Sultana
In silico analysis is a powerful technique to identify better therapeutic interventions. Molecular docking is widely used to screen ligands through analysing binding affinities for target receptors. In this study we screened ligands for two proteins which are potential drug targets: deoxyuridine triphosphate…
Authors not listed
Site-specific modifications of native-sequence proteins are technologies that underpin progresses in chemical biology, diagnostics and next-generation biotherapeutics. However, the pursuit of site-specificity has often come at the expense of scalability and usability, ultimately limiting translational potential of a…
Zachary J. Gale-Day, Laura Shub, Kangway V. Chuang, Michael J. Keiser
Message-passing neural networks (MPNNs) on molecular graphs generate continuous and differentiable encodings of small molecules with state-of-the-art performance on protein-ligand complex scoring tasks. Here, we describe the Protein-Graph Network (PGN) package, an open-source toolkit that constructs ligand-receptor…
Darcy A. Thompson, Laura K. Kaizer, Sarah J. Schmiege, Natasha J. Cabrera + 4 more
'Natasha J. Cabrera' 'Lauren Clark' 'Haley Ringwood' 'Estefania Miramontes Valdes' 'Jeanne M. Tschann'] Introduction With the increasing integration of digital screen devices into our everyday life, there has been increased attention regarding the risk of “problematic” use or pathological use. Because children start…
Nate Veldt, Austin R. Benson, Jon Kleinberg
Homophily is the seemingly ubiquitous tendency for people to connect and interact with other individuals who are similar to them. This is a well-documented principle and is fundamental for how society organizes. Although many social interactions occur in groups, homophily has traditionally been measured using a graph…
Tamás Dávid-Barrett
The practice of marriage is an understudied phenomenon in behavioural sciences despite being ubiquitous across human cultures. This modelling paper shows that replacing distant direct kin with in-laws increases the interconnectedness of the family social network graph, which allows more cooperative and larger groups.…
Sankalp Garud, Miruna Rascu, Sorcha Hamilton, Ingrid Yu + 2 more
Humans start new friendships and social connections throughout their lives and such relationships foster mental and physical well-being. While friendship initiation may depend on alignment of subtle and complex personal variables, here we investigated whether it also depends on basic features of social environments.…
Authors not listed
Genetically encoded covalent warheads at the protein-protein interface, enable the locking of interaction from the transient complex into a stable covalent adduct, which could improve the binding affinity, selectivity, and kinetics between a protein binder and its target. Given the diverse chemical microenvironments…
B.A. Beisner, B. McCowan, M.A. Bloomsmith, L. Lacefield + 1 more
A major challenge in managing captive-bred rhesus macaque social groups is mitigating deleterious aggression before it escalates to social instability. Prior work at the California National Primate Research Center (CNPRC) showed that fragmentation of matrilineal structure—reflected in lower average kinship among female…
Imran Razik, Bridget K. G. Brown, Gerald G. Carter
Spatial assortment can be both a cause and consequence of cooperation. Proximity promotes cooperation when individuals preferentially help nearby partners, and conversely, cooperation drives proximity when individuals move towards more cooperative partners. However, these two causal directions are difficult to…
James Tilley, Sara Hobolt
There are increasing concerns about affective polarization between political groups in the US and elsewhere. While most work explaining affective polarization focuses on a combination of social and ideological sorting, we ask whether people’s personalities are associated with friendliness to their political in-group…
Mindaugas Bloznelis, Dominykas Marma
We present two models of sparse dynamic networks that display transitivity - the tendency for vertices sharing a common neighbour to be neighbours of one another. Our first network is a continuous time Markov chain G = {Gt = (V, Et), t ≥ 0} whose states are graphs with the common vertex set V = {1, . . . , n}. The…
Federico Musciotto, Danai Papageorgiou, Federico Battiston, Damien R. Farine
Revealing the consequences of social structure in animal societies is largely determined by our ability to accurately estimate functionally relevant patterns of social contact among individuals. To date, studies have predominantly built up social structure from dyadic connections. However, many associations or…