Suchergebnisse: Modelling material

Probabilistic divergence of a template-based modelling methodology from the ideal protocol

Runthala, Ashish

Comparative modelling unravels the structural features of eukaryotic TCTP implicated in its multifunctional properties: an in silico approach

Kumar, Rakesh ; Saran, Shweta

Modelling the structural and reactivity landscapes of tucatinib with special reference to its wavefunction-dependent properties and screening for potential antiviral activity

Alsalme, Ali ; Pooventhiran, T. ; Al-Zaqri, Nabil ; Rao, D. Jagadeeswara ; Rao, Siriki Srinivasa ; Thomas, Renjith

Identification of promising molecules against MurD ligase from Acinetobacter baumannii: insights from comparative protein modelling, virtual screening, molecular dynamics simulations and MM/PBSA analysis

Jha, Rajat Kumar ; Khan, Rameez Jabeer ; Amera, Gizachew Muluneh ; Singh, Ekampreet ; Pathak, Amita ; Jain, Monika ; Muthukumaran, Jayaraman ; Singh, Amit Kumar

Drain Current Modelling of Asymmetric Junctionless Dual Material Double Gate MOSFET with High K Gate Stack for Analog and RF Performance

Basak, Arighna ; Sarkar, Angsuman

Modelling and Optimization of Sepiolite Activation with Citric Acid Using Factorial Experimental Design and Response Surface Methodology

Yonar, Selma ; Ugwu, Emmanuel lkechukwu ; Sabah, Eyup

Cocrystals of hydrochlorothiazide with picolinamide, tetramethylpyrazine and piperazine: quantum mechanical studies, docking and modelling of the photovoltaic efficiency for DSSC

Al-Otaibi, Jamelah S. ; Almuqrin, Aljawhara H. ; Mary, Y. Sheena ; Mary, Y. Shyma ; Thomas, Renjith

Modelling and numerical simulation of isothermal oxidation of an individual magnetite pellet based on computational fluid dynamics

Pu, Zhou ; Zhou, Feng ; Sun, Yue ; Zhang, Ming ; Li, Bo-Quan

Molecular basis of the beta-lactamase protein using comparative modelling, drug screening and molecular dynamics studies to understand the resistance of β-lactam antibiotics

Alazmi, Meshari

Designing a magnetic inductive micro-electrode for virus monitoring: modelling and feasibility for hepatitis B virus

Alipour, Elias ; Shariatpanahi, Seyed Peyman ; Ghourchian, Hedayatollah ; Piro, Benoit ; Fathipour, Morteza ; Boutorabi, Seyed Mehdi ; Znoyko, Sergey L. ; Nikitin, Petr I.

Testing and constitutive modelling of the mechanical behaviours of gravelly soil material

Zhang, Jiu-Chang ; Li, Yue ; Xu, Bo ; Meng, Qin-Xiang ; Zhang, Qiang ; Wang, Ru-Bin

Comparative modelling studies of fruit bromelain using molecular dynamics simulation

Pang, Wei Cheng ; Ramli, Aizi Nor Mazila ; Hamid, Azzmer Azzar Abdul

Analytical Modelling and Simulation of Si-Ge Hetero-Junction Dual Material Gate Vertical T-Shaped Tunnel FET

Singh, Shailendra ; Raj, Balwinder

Effect of Titanium Carbide Heat Exchanger Block and Retort on Oxygen Impurities in Mc-Silicon: Numerical Modelling

Vishnuwaran, M. ; Srinivasan, M. ; Kesavan, V. ; Ramasamy, P.

Performance of Coconut Shell Alkali-Activated Concrete: Experimental Investigation and Statistical Modelling

Ikponmwosa, Efe Ewaen ; Ehikhuenmen, Samuel ; Emeshie, Joseph ; Adesina, Adeyemi

Evaluation of a pH-responsive guar gum-based hydrogel as adsorbent for cationic dyes: kinetic and modelling study

Hiremath, Jagadish N. ; Vishalakshi, Badalamoole