With the advent of powerful computational resources, and continual improvements in computational techniques and algorithms, the computer simulations of biomolecular structure and dynamics are increasingly becoming a potent partner to experiment in the modern molecular biology research. In this presentation, I...
Molecular modeling and simulations of major histocompatibility complex class l protein-peptide interactions. This book supplies an application-oriented introduction to molecular simulation techniques used to study a wide range of problems in molecular biology. Each chapter focuses in detail on one kind of...
Towards More Realistic Computer Simulations in Theoretical Molecular Biology - ScienceDirectE. ClementiMedicinal Chemistry Advances
Computer simulations can complement experiments in molecular biology; and are sometimes the only instrument to probe fundamental processes in the cell. However, their use is hampered by poor convergence. I summarize a number of now widely utilized algorithms that help to alleviate these sampling diffi...
In this paper, cardiac intracellular calcium and contraction force are examined under simulated heart failure. The simulations show that two major changes of calcium handling attributed to cardiac failure (SERCA dysfunction and NCX over-expression) are not sufficient to quantitatively explain changes in...
Computer modelling consists of writing a computer program version of a mathematical model for a physical or biological system. Computer simulations that are run according to such programs can produce knowledge out of reach of mathematical analysis or natural experimentation. ...
Computer simulations were performed to investigate the role of electrostatic interactions in promoting fast association of acetylcholinesterase with its pe... AH Elcock,RR Gabdoulline,RC Wade,... - 《Journal of Molecular Biology》 被引量: 332发表: 1999年 Butyrylcholinesterase is present in the hum...
has been no similar comprehensive book written so far. Currently, one needs many different books to learn all the necessary elements. With this book, however, one basically needs only a second book on field-specific algorithms in order to be fully equipped to perform computer simulations research...
The biology workbench—A seamless database and analysis environment for the biologist No is available for this article. S Subramaniam 被引量: 0发表: 1998年 Protein Explorer: A Petaflops Special-Purpose Computer System for Molecular Dynamics Simulations Ohno, N. Takada, and A. Konagaya, "Protein...
The structure of aggregates in solutions of chain molecules with associating groups at one of the ends is studied by Monte Carlo computer simulations using the bond fluctuation model. The main attention is paid to the influence of additives of low-molecular-weight solvent solubilizing the aggregate...