Structure-activity relationships in carbohydrates revealed by their hydration. by Maugeri, L, Busch, S, McLain, S, Pardo, L, Bruni, F, Ricci, M

“…Here we have looked at the hydration of specific sites and at the three-dimensional configuration of water molecules around three carbohydrates (glucose, cellobiose, and trehalose), combining neutron diffraction data with computer modeling. Results indicate that identical chemical groups can have radically different hydration patterns depending on their location on a given molecule. …”

Machine learning model for sequence-driven DNA G-quadruplex formation by Sahakyan, A, Chambers, V, Marsico, G, Santner, T, Di Antonio, M, Balasubramanian, S

“…We describe a sequence-based computational model to predict DNA G-quadruplex (G4) formation. …”

Controlling crystallization and its absence: proteins, colloids and patchy models. by Doye, J, Louis, A, Lin, I, Allen, L, Noya, E, Wilber, A, Kok, H, Lyus, R

“…We also explore the insights that can be obtained from computational modelling, focussing on the subtle interplay between the interparticle interactions, the preferred local order and the resulting crystallization kinetics. …”

Isolation and testing of new single crystal superalloys using alloys-by-design method by Reed, R, Zhu, Z, Sato, A, Crudden, D

“…Three new single crystal superalloys are isolated using theory-based computational modelling approaches, termed alloys-by-design methods. …”

A novel explicit 2D+t cyclic shape model applied to echocardiography. by Casero, R, Noble, J

“…We illustrate our method by computing models of the myocardium in the 4 principal planes of 2D+t echocardiography data.…”

Applications of three-dimensional box modeling to paleontological functional analysis by Rahman, I, Lautenschlager, S

“…Functional analysis through computer modeling can inform on how extinct organisms moved and fed, allowing us to test long-standing paleobiological hypotheses. …”

Eggleton '71 revisited by Cannon, R

“…The use of mathematical and computational models to explore, analyze and predict the behavior of biological systems is rarely successful and widely mistrusted. …”

Neural mechanisms of social cognition in primates by Wittmann, MK, Lockwood, PL, Rushworth, MFS

“…Recent advances in comparative anatomy and computational modeling may help us to gain deeper insights into the nature and boundaries of primate social cognition.…”

Ventromedial prefrontal cortex encodes a latent estimate of cumulative reward. by Juechems, K, Balaguer, J, Ruz, M, Summerfield, C

“…Risky behavior was captured by a computational model in which reward prompts an adaptive update to the function that links utilities to choices. …”

Spatial uniformity as a principle for determination of atomistic structural models by Cai, B, Goodwin, A, Drabold, D

“…We discuss the concept of structural uniformity as a tool for model construction, and employ the recently proposed reverse Monte Carlo + invariant environment refinement technique (RMC+INVERT) method to create computer models of amorphous materials. We further develop the RMC+INVERT method, and apply it to model glassy GeO 2, by jointly fitting partial pair-correlation functions rather than the total correlation function as in previous calculations. …”

Action potential shape change in an electrically coupled network during propagation: a computer simulation. by Buckingham, S, Spencer, A

“…We applied compartmental computer modeling to test a model of spike shape change in the jellyfish, Polyorchis penicillatus, to determine whether adaptive spike shortening can be attributed to the inactivation properties of a potassium channel. …”

Deciding the embedding nonlinear model dimensions and data size prior to daily reference evapotranspiration modeling by Karimaldini, Fatemeh, Lee, Teang Shui, Abdollahi, Mohammadreza, Khalili, Najmeh

“…It is difficult to obtain an accurate formula for ETO estimation that is suitable to encompass all environments, because evapotranspiration is an incidental, nonlinear, complex and unsteady process. Soft computing models are able to handle noisy data from a dynamic and nonlinear system such as the evapotranspiration process. …”
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Cloud computing sensitive data protection using multi layered approach by Muhasin, Haifaa Jassim, Atan, Rodziah, A. Jabar, Marzanah, Abdullah, Salfarina

“…Cloud computing is a modern technology and it gives access to the network upon request to required computing resources (network, servers, storage, applications and services). This exciting computing model depends on data traffic and controlled by a third party. …”
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Experimental and Computational Investigations of Baffle Location Effect on the Performance of Oil and Water Separator Tanks by Abdullah, Rozi, Hussein, Haitham A., Said, Md Azlin Md

“…The measurements were compared with the result of the computational model. The results of the experimental and computational simulations indicate that the best location of a baffle structure is achieved when the standard deviation of the velocity profile and the volume of the circulation zone inside the tank are minimized.…”
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3D object modeling using AUSTRALIS and RHINOCEROS software by Hashim, K. A., Setan, Halim, Ahmad, Anuar, Maarof, Ismail

“…Most of engineering applications require accurate object measurement using three-dimensional (3D) computer models in order to understand the engineering design of devices and systems. …”

Development of energy aware TDMA-based MAC protocol for wireless sensor network system by A. Rashid, Rozeha, Embong, W. M. A. E. W., Zaharim, Azami, Fisal, Norsheila

“…The result from the computational model shows that the algorithm can prolong network lifetime due to efficiency in energy consumption from time slot management.…”
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Implementation of ant colony system for DNA sequence optimization by Ibrahim, Zuwairie, Kurniawan, Tri Basuki, Khalid, Noor Khafifah, Khalid, Marzuki

“…DNA computation as a new paradigm has the computational power of molecules for information processing and many computational models have been proposed for solving mathematical problems in laboratory experiments. …”

Implementation of ant colony system for DNA sequence optimization by Ibrahim, Zuwairie, Kurniawan, Tri Basuki, Mohamed Saaid, Muhammad Faiz, Yahya, Azli

“…DNA computation as a new paradigm has the computational power of molecules for information processing and many computational models have been proposed for solving mathematical problems in laboratory experiments. …”

Computer simulation studies on the effect overlap ratio for savonius type vertical axis marine current turbine by Yaakob, Omar, Tawi, Kamarul Baharin, Sunanto, D. T. S.

“…The simulation of Savonius-type turbine, which hitherto has never been proposed for marine current energy application, is presented in this paper. A 3D computational model was built and analyzed using a Computational Fluid Dynamic analysis using proprietary software. …”

Computer simulations of pulsatile blood flow in fusiform models of abdominal aortic aneurysms by Vijayajothi, P., Kanesan, M., Abdul Kadir, Mohammed Rafiq

“…Flow dynamics have been investigated in model aneurysms under physiologically realistic pulsatile flow condition via computational modeling techniques. The computer simulations are based on finite element method. …”