[PDF] Top 20 Molecular dynamics simulation in hybrid systems
Has 10000 "Molecular dynamics simulation in hybrid systems" found on our website. Below are the top 20 most common "Molecular dynamics simulation in hybrid systems".
Molecular dynamics simulation in hybrid systems
... interactions. In bonded interactions the number of bonds terms is proportional to the number of atoms in the system, but the number of non-bonded terms increases as the square of the number of atoms for the ... See full document
70
A novel antibody humanization method based on epitopes scanning and molecular dynamics simulation.
... residues in the framework regions (FRs) that need to be mutated to human counterpart in the humanization ...and molecular dynamics (MD) simulation were used to assess the conformational ... See full document
10
Effects of single nucleotide polymorphisms on human N-acetyltransferase 2 structure and dynamics by molecular dynamics simulation.
... NAT2 in the metabolism of arylamine, hydrazine drugs and many arylamine procarcinogens, understanding the structural basis of acetylation polymorphism is of ...and dynamics, we used multiple ... See full document
12
Emergency Department Problems: A Call for Hybrid Simulation
... and dynamics, many have argued the need of mixed-modeling approach to solve health care problems ...[2]-[4]. In health care, administrators are not only interested to track the status of individual entities ... See full document
5
Behavior of pyrene as a polarity probe in palmitoylsphingomyelin and palmitoylsphingomyelin/cholesterol bilayers: A molecular dynamics simulation study
... (mostly in the z ∼ 2.4–2.5 nm range) for all systems shown in ...is in the range of z ∼ ...pyrene in the 20 mol% simula- tion is the result of a rare translocation event between ... See full document
11
Amyotrophic Lateral Sclerosis Type 20 - In Silico Analysis and Molecular Dynamics Simulation of hnRNPA1.
... Most algorithms generated high quality models according to their RMSD and TM-score val- ues. However, most comparative modeling programs failed to model the C-terminal part of the protein. Even though PS2 had the best ... See full document
18
Exact hybrid particle/population simulation of rule-based models of biochemical systems.
... the molecular complexes within the system to calculate rule ...as in the SSA [20] and the particle(s) to participate in the transformation is (are) selected randomly from the set of ...as in ... See full document
16
Molecular Dynamics Simulation Studies of dTTP Binding and Catalysis Mediated by YhdE Dimerization.
... (loop-4) in YhdE with open/closed confor- mations, the average structures from the equilibrated simulations of the apo open state and closed state of YhdE are shown in Fig ...loop-4 in both states ... See full document
22
Co-simulation of the lumbar intervertebral discs through finite element method and multibody systems dynamics
... curvatures in the sagittal plane (Figure ...present in the spine’s cervical and lumbar regions, while kyphosis is present in the thoracic, sacral and coccygeal ...IVDs. In the case of ... See full document
134
New binding site conformations of the dengue virus NS3 protease accessed by molecular dynamics simulation.
... longer simulation to our purposes: even if a protein seems stable during shorter trajectories, they can surpass greater conformational changes after longer simulation times, revealing Figure ...changes ... See full document
15
Computational drug design strategies applied to the modelling of human immunodeficiency virus-1 reverse transcriptase inhibitors
... total simulation time of 360 ...the dynamics from both a crystallographic ensemble of 13 RT structures (1 apo, 2 substrate-bound and 10 NNR- TI-bound) and a MD ensemble from three simulated sys- tems (RT ... See full document
18
An alternating direction algorithm for hybrid precoding and combining in millimeter wave MIMO systems
... the hybrid design problem for spatial multiplexing in mmWave MIMO systems using an augmented Lagrangian based decomposition ...results in an iterative algorithm comprising a sequence of ... See full document
28
SIMULATION OF THE AIRFLOW INSIDE A HYBRID DRYER
... helps in reducing the water activity of the produce to a level below which deterioration doesn’t occur for a definite duration ...reduction in post-harvest losses. The reduction in post-harvest ... See full document
8
Influence of Chirality of Crizotinib on Its MTH1 Protein Inhibitory Activity: Insight from Molecular Dynamics Simulations and Binding Free Energy Calculations.
... detailed molecular mechanism remains unclear. In this study, molecular dynamics (MD) simulations and free energy calculations were used to elucidate the mechanism about the effect of chirality ... See full document
15
Characteristics of hybrid systems for electricity generation and applications in wind-photovoltaic systems
... elétrica. In: AGRENER 2004 - ENCONTRO DE ENERGIA NO MEIO RURAL, 5, 2004, ...diesel systems incorporating short-term storage: an analysis via simulation ... See full document
13
Molecular dynamic simulation reveals damaging impact of RAC1 F28L mutation in the switch I region.
... essential dynamics (ED) method according to protocol [26] within the GROMACS software ...motion in simulations that are essentially correlated and presumably meaningful for biological function ... See full document
7
SIMULATION OF VENTILATION SYSTEMS IN A PROTECTED ENVIRONMENT USING COMPUTATIONAL FLUID DYNAMICS
... help in implementing alternative cooling systems in protected ...fluid dynamics (CFD) techniques and validate micrometeorological variables for subsequent comparison between natural and ... See full document
12
Towards the design of new and improved drilling fluid additives using molecular dynamics simulations
... of simulation where ...larger systems and can be run on parallel ...required in order to transfer data from su- percomputing resources for post-processing and visual- ...used in or- der to ... See full document
18
Optimization of molecular dynamics simulation code and applications to biomolecular systems
... model in order to obtain a statistically significant sample ...use in performing MD ...run in order to establish a zone of equivalence and a zone of ...result in a significant performance ... See full document
241
The Study on the Nanocutting by Rigid Body Tool and Elastic Body Tool Using Molecular Dynamics Simulations
... In this study, the Gear’s predictor-corrector method [16] is adopted to calculate the positions, velocities and accelerations of atoms under displacement condition. The both Verlet’s neighbor lists [16] and ... See full document
6
temas relacionados