Sökning: "Theoretical biology"
Visar resultat 1 - 5 av 187 avhandlingar innehållade orden Theoretical biology.
1. Finding fitness : empirical and theoretical explorations of inferring fitness effects from population-level SNP data
Sammanfattning : The distribution of fitness effects (DFE) describes the likelihood that a new mutation has a specific effect on the fitness of an individual in a given population. The shape of the DFE is a result of several factors such as population size, mating system and selective environment, and can in turn influence the evolutionary potential of a species. LÄS MER
2. Extending the Reach of Computational Approaches to Model Enzyme Catalysis
Sammanfattning : Recent years have seen tremendous developments in methods for computational modeling of (bio-) molecular systems. Ever larger reactive systems are being studied with high accuracy approaches, and high-level QM/MM calculations are being routinely performed. LÄS MER
3. Computational Modelling of Ligand Complexes with G-Protein Coupled Receptors, Ion Channels and Enzymes
Sammanfattning : Accurate predictions of binding free energies from computer simulations are an invaluable resource for understanding biochemical processes and drug action. The primary aim of the work described in the thesis was to predict and understand ligand binding to several proteins of major pharmaceutical importance using computational methods. LÄS MER
4. Unveiling Mechanistic Details of Macromolecular Interactions: Structural Design and Molecular Modelling of DNA-Protein Systems in Their Active State
Sammanfattning : Molecular structure is fundamental for understanding mechanisms of molecular interactions. This applies not least to understanding biological function: every biological cell, whether bacterial or human, is an immensely complex system of thousands of molecules that exist in constant motion and interaction with each other. LÄS MER
5. Theoretical and Biochemical : Advancing Protein Structure Investigations with Complementing Computations
Sammanfattning : Life as we know it today would not exist without proteins. The functions of proteins for us and other organisms are linked to their three-dimensional structures. As such, protein structure investigations are a crucial contribution for understanding proteins and the molecular basis of life. LÄS MER