Results 21 to 30 of about 1,606 (171)

Graph-Theoretical Approach for Predicting Physicochemical Properties of Stiff-Person Syndrome Drugs. [PDF]

ChemistryOpen
Graph‐theoretical descriptors derived from M‐polynomials are integrated with quantitative structure–property relationship modeling and machine learning to uncover structure–property relationships of drugs used in stiff‐person syndrome. Strong correlations between degree‐based topological indices and key physicochemical properties are revealed ...
Ali J, Ali Y, Malik MA, Shang Y.
europepmc   +2 more sources

International Journal of Mathematical Combinatorics, Vol.7A [PDF]

, 2013
The International J.Mathematical Combinatorics (ISSN 1937-1055) is a fully refereed international journal, sponsored by the MADIS of Chinese Academy of Sciences and published in USA quarterly comprising 460 pages approx.
Mao, Linfan (Editor-in-Chief)
core   +1 more source

AI‐Physics‐Experiment Trinity for Integrated Protein Dynamics Modeling

Advanced Science, EarlyView.
This review unites experiments, physics‐based simulations, and AI as a synergistic triad for protein dynamics modeling. It highlights integrative strategies, resolves sampling and forcefield bottlenecks, and outlines challenges and future directions for accurate, interpretable conformational ensemble prediction.
Chen Shi, Minying Low, Peng Xiu, Kresten Lindorff‐Larsen, Yong Wang   +4 more
wiley   +1 more source

Topological Complexity of Configuration Spaces [PDF]

, 2010
In this thesis we study the homotopy invariant TC(X); the topological complexity of a space X. This invariant, introduced by Farber in [15], was originally motivated by a problem in Robotics; the motion planning problem.
COSTA, ARMINDO,EMANUEL, Costa, Armindo Emanuel   +1 more
core  

A Unifying Approach to Self‐Organizing Systems Interacting via Conservation Laws

Advanced Intelligent Discovery, EarlyView.
The article develops a unified way to model and analyze self‐organizing systems whose interactions are constrained by conservation laws. It represents physical/biological/engineered networks as graphs and builds projection operators (from incidence/cycle structure) that enforce those constraints and decompose network variables into constrained versus ...
F. Barrows, G. Zhang, S. Anand, Z. Chen, J. Lin, A. Desai, S. Martiniani, F. Caravelli   +7 more
wiley   +1 more source

Universality in protein residue networks

, 2010
Residue networks representing 595 nonhomologous proteins are studied. These networks exhibit universal topological characteristics as they belong to the topological class of modular networks formed by several highly interconnected clusters separated by ...
Estrada, Ernesto, New Professor's Fund - University of Strathclyde (Funder), , New Professor's Fund - University of Strathclyde (Funder), Estrada, E.   +3 more
core   +1 more source

Long‐Range Interactions in Topological Superconducting Systems: A Mini Review

Advanced Physics Research, EarlyView.
Long‐range interacting quantum systems are surveyed in this review, with an emphasis on the long‐range topological superconductor and its variants. Long‐range interactions decaying in a power‐law manner can lead to exotic phenomena that finds no analogue in short‐range regimes.
Juntong Ren, Haifeng Lü
wiley   +1 more source

Moduli Spaces of Topological Solitons [PDF]

, 2015
This thesis presents a detailed study of phenomena related to topological solitons (in $2$-dimensions). Topological solitons are smooth, localised, finite energy solutions in non-linear field theories.
Muhamed, Abera Ayalew
core  

On structural controllability in complex networks with periodic switching topologies

Asian Journal of Control, EarlyView.
Abstract This paper investigates the structural controllability of complex networks with periodic switching topologies. First, several graph transformations that preserve structural controllability are demonstrated. Based on the n‐walk theory, a criterion is derived that determines structural controllability by analyzing only the joint graph within a ...
Jingrui Hou, Zhaohui Liu, Xinghuo Yu, Mahdi Jalili   +3 more
wiley   +1 more source

Configuration spaces of thick particles on graphs [PDF]

, 2011
In this thesis, we study the topology of configuration spaces of particles of variable radius r>0 moving on a metric graph. Our main tool is a piecewise linear (PL) Morse-Bott theory for affine polytope complexes, which extends the Morse theory for such ...
DEELEY, KENNETH
core