Mathematical biology has been an area of wide interest during the recent decades, as modeling complicated biological processes enabled creation analytical and computational approaches to many different bio-inspired problems originating from branches such population dynamics, molecular dynamics in cells, neuronal heart diseases, cardiovascular system, genetics, etc [...]

Molecular modeling is a set of computational techniques for construction of 3D structure of a protein especially membrane bound proteins whose structures can not be elucidated using experimental techniques. These techniques has been applied in the study of membrane metalloproteases for comparing wild and mutated enzymes, docking inhibitors in the catalytic site and examination of binding pocket...

Within organisational learning literature, mental models are considered a vehicle for both individual and organizational learning. By (and making them explicit), basis formation of shared the level organization is created, which after its can then be adopted by individuals. This provides mechanisms These have been used as an adaptive computational network model. The model illustrated not too co...

The field of molecular modeling has long recognized modeling the folding, assembly, and long-time dynamics of large macromolecules as its biggest challenge, since it is precisely at large size and long time scales that computational methods are most taxed. In response, many methods have been developed to reduce the computational cost by coarsening the granularity of the problem. Inevitably accu...

In classical Cell Biology, fundamental cellular processes are revealed empirically, one experiment at a time. While this approach has been enormously fruitful, our understanding of cells is far from complete. In fact, the more we know, the more keenly we perceive our ignorance of the profoundly complex and dynamic molecular systems that underlie cell structure and function. Thus, it has become ...

Medicinal chemistry depends on many other disciplines ranging from organic chemistry andpharmacology to computational chemistry. Typically medicinal chemists use the moststraightforward ways to prepare compounds. The validation of any design project comes from thebiological testing.Studies of the binding site of vinblastine by a single cross—linking experiment identified it asbeing between resi...

In the post genomic era a possibility of theoretical prediction of protein structure from sequence of amino acids is one of the most important and challenging goals of molecular biology. High complexity of the problem requires simplification of molecular models and very efficient computational tools. Proposed here model of protein structure, dynamics and interaction scheme assumes a single inte...

Computers have become an essential component of molecular modeling work, especially for complex biomolecules. They are commonly used for such tasks as modeling the docking between ligand and receptor molecules, structure refinement from X-ray crystallography and NMR data, and sequence analysis. Newer tools are intended to aid in designing new proteins as well as analyzing those found in nature....

Division of Systems Biology of Signal Transduction, DKFZ-ZMBH Alliance, German Cancer Research Center (DKFZ), Heidelberg, Germany Molecular Structural Analysis, German Cancer Research Center (DKFZ), Heidelberg, Germany Computational Modeling in Biology, Institute for Bioinformatics and Systems Biology, Helmholtz Zentrum München, München, Germany Physics Institute, University of Freiburg, Freibu...