Biological function modeling

Moreover, molecular modeling is one key method of a wide range of computer-assisted methods to analyze and predict relationships between protein sequence, 3D-molecular structure, and biological function (sequence-structure-function relationships). In molecular pharmacology these methods focus predominantly on analysis of interactions between different proteins, and between ligands (hormones, drugs) and proteins as well gaining information at the amino acid and even to atomic level. 

Structural genomics aims to use high-throughput structure determination and computational analysis to provide structures and/or 3D-models of every tractable protein. The intention is to determine as many protein structures as possible and to exploit the solved structures for the assignment of biological function to hypothetical proteins. 

Sjbberg B-M (1997) Ribonucleotide Reductases - A Group of Enzymes with Different Metallosites and a Similar Reaction Mechanism. 88 139-174 Slebodnick C, Hamstra BJ, Pecoraro VL (1997) Modeling the Biological Chemistry of Vanadium Structural and Reactivity Studies Elucidating Biological Function. 89 51-108 Smit HHA, see Thiel RC (1993) 81 1-40... 

The Physiome Project should be viewed as both a vision and a route. It has been portrayed as consisting of two parts (Bassingthwaighte et al. 1998) (i) the databasing of biological information (the Mechanic s touch ), and (ii) the development of descriptive and, ultimately, analytical models of biological function (the Orbiter s view ). These are by no means sequential stages of the development. 

Conventional MS in the energy domain has contributed a lot to the understanding of the electronic ground state of iron centers in proteins and biomimetic models ([55], and references therein). However, the vibrational properties of these centers, which are thought to be related to their biological function, are much less studied. This is partly due to the fact that the vibrational states of the iron centers are masked by the vibrational states of the protein backbone and thus techniques such as Resonance Raman- or IR-spectroscopy do not provide a clear picture of the vibrational properties of these centers. A special feature of NIS is that it directly reveals the fraction of kinetic energy due to the Fe motion in a particular vibrational mode. 

The purpose of the work by Dellaert10 is the simulation of a biologically defensible model of biological development, and the use of this model to evolve functionally autonomous agents. 

Biological function of targets (pathway dissection, miRNA/siRNA/ shRNA studies, model building in vitro and in vivo)... 

Metal-sulfur aggregates are now known to occur in biological systems as the active sites of a significant number of metalloenzymes, and clarification of their detailed structures are currently progressing rapidly. In consideration of the results of these studies, many researchers are attempting to synthesize the direct structural models as well as the functional models of the active sites of natural enzymes that promote various important reactions in the biological systems under ambient conditions, which presumably leads in the near future to the... 

The present volume is the fourth in the series and covers the topics lithium in biology, the structure and function of ceruloplasmin, rhenium complexes in nuclear medicine, the anti-HIV activity of macrocyclic polyamines and their metal complexes, platinum anticancer dmgs, and functional model complexes for dinuclear phosphoesterase enzymes. The production of this volume has been overshadowed by a very sad event—the passing away of the senior editor, Professor Robert W. Hay. It was he who conceived the idea of producing this series and who more than anyone else has been responsible for its continuation. A tribute by one of his many friends, Dr. David Richens, is included in this Volume. 

Muller et al.understand better the role of tyrosine in the structure and biological function of MDH. Resolution of the protein absorption spectrum, using iV-acetylphenylalanine ethyl ester in dioxane and A-acetyltyrosine ethyl ester in dioxane or 0.1 M phosphate buffer to model the effect of the local environments of the chromophoric groups, indicated that both the pig and the... 

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