Search for dissertations about: "theoretical biology"

Showing result 1 - 5 of 182 swedish dissertations containing the words theoretical biology.

2. 1. Finding fitness : empirical and theoretical explorations of inferring fitness effects from population-level SNP data

   Author : Bea Angelica Andersson; Xiao-Ru Wang; Åke Brännström; Tanja Slotte; Umeå universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; distribution of fitness effects; site frequency spectra; missing data filtering; downsampling; imputation; sample size; population structure; inbreeding; selfing; homozygosity; Arabidopsis; Pinus; DFE-alpha; SLiM; population genomics; adaptation; biology; biologi; evolutionär genetik; evolutionary genetics; populationsbiologi; Population Biology; molekylärbiologi; Molecular Biology; Genetics; genetik;

   Abstract : 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. READ MORE

4. 2. Extending the Reach of Computational Approaches to Model Enzyme Catalysis

   Author : Beat Anton Amrein; Shina Caroline Lynn Kamerlin; Adrian Mulholland; Uppsala universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; epoxide hydrolase; enantioselectivity; regioselectivity; enantioconvergence; biocatalysis; empirical valence bond; computational directed evolution;

   Abstract : 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. READ MORE

5. 3. Computational Modelling of Ligand Complexes with G-Protein Coupled Receptors, Ion Channels and Enzymes

   Author : Lars Boukharta; Johan Åqvist; Christopher A. Reynolds; Uppsala universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; computer simulations; molecular dynamics; ligand binding; free energy perturbation; linear interaction energy; binding free energy; homology modelling; structure prediction; alanine scanning; site-directed mutagenesis; hERG; GPCR; neuropeptide Y; HIV-1 reverse transcriptase; integron integrase; Molecular Biotechnology; Molekylär bioteknik;

   Abstract : 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. READ MORE

6. 4. Unveiling Mechanistic Details of Macromolecular Interactions: Structural Design and Molecular Modelling of DNA-Protein Systems in Their Active State

   Author : Anna Reymer; Chalmers tekniska högskola; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; molecular modelling; intercalation; homologous recombination; DNA; ruthenium II polypyridyl compounds; human Rad51;

   Abstract : 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. READ MORE

7. 5. Theoretical and Biochemical : Advancing Protein Structure Investigations with Complementing Computations

   Author : Maxim N. Brodmerkel; Erik G. Marklund; Carl Caleman; Charlotte Uetrecht; Helmut Grubmüller; Uppsala universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; Molecular dynamics simulation; Protein structure; Structural biology; Protein hydration; Electric dipole; Collision Induced Unfolding;

   Abstract : 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. READ MORE