Results 1 to 10 of about 2,009 (74)

Long-Timescale Simulations Revealed Critical Non-Conserved Residues of Phosphodiesterases Affecting Selectivity of BAY60-7550

Computational and Structural Biotechnology Journal, 2022
A major obstacle of the selective inhibitor design for specific human phosphodiesterase (PDE) is that highly conserved catalytic pockets are difficult to be distinguished by inhibitor molecules.
Qing Liu, Menghua Song, Yue Qiu, Elaine Lai-Han Leung, Qiang Huang, Xiaojun Yao   +5 more
doaj   +1 more source

Ninth-order Multistep Collocation Formulas for Solving Models of PDEs Arising in Fluid Dynamics: Design and Implementation Strategies

Axioms, 2023
A computational approach with the aid of the Linear Multistep Method (LMM) for the numerical solution of differential equations with initial value problems or boundary conditions has appeared several times in the literature due to its good accuracy and ...
Ezekiel Olaoluwa Omole, Emmanuel Oluseye Adeyefa, Victoria Iyadunni Ayodele, Ali Shokri, Yuanheng Wang   +4 more
doaj   +1 more source

On the Unitarity of the Stueckelberg Wave Equation and Measurement as Bayesian Update from Maximum Entropy Prior Distribution

Quantum Reports
The Stueckelberg wave equation is transformed into a quantum telegraph equation and a set of stationary states is obtained as unitary solutions. As it has been shown previously that this PDE relates to the Dirac operator, and on the other hand it is a ...
Jussi Lindgren
doaj   +1 more source

Machine Learning Reshaping Computational Fluid Dynamics: A Paradigm Shift in Accuracy and Speed

Fluids
Accurate and efficient CFD simulations are essential for a wide range of engineering and scientific applications, from resilient structural design to environmental analysis.
Aly Mousaad Aly
doaj   +1 more source

The finite element neural network method to simulate two dimensional partial differential equations and perform parameter identification. [PDF]

Sci Rep
Abda M, Berthet L, Hamedi M, Hibatullah D, Piollet E, Blake C, Blais B, Gosselin FP.   +7 more
europepmc   +1 more source

Sliding physical invariant neural operator for long-term prediction of complex dynamics in physical systems. [PDF]

Natl Sci Rev
Wang Y, Li Y, Peng Y, Ying S.
europepmc   +1 more source

Fast automated adjoints for spectral PDE solvers. [PDF]

Proc Natl Acad Sci U S A
Skene CS, Burns KJ.
europepmc   +1 more source

Hamiltonian simulation for nonlinear partial differential equation by Schrödingerization. [PDF]

Sci Rep
Sasaki S, Endo K, Muramatsu M.
europepmc   +1 more source

PINN for stiff moving-boundary PDE to predict the locking point in superheated steam drying. [PDF]

Sci Rep
Malekjani N, Bück A, Tsotsas E, Kharaghani A.   +3 more
europepmc   +1 more source

Quantum algorithms for viscosity solutions to nonlinear Hamilton-Jacobi equations based on an entropy penalization method. [PDF]

Proc Natl Acad Sci U S A
Jin S, Liu N.
europepmc   +1 more source