National Repository of Grey Literature 30 records found  1 - 10nextend  jump to record: Search took 0.00 seconds. 
Optimization of Semiempirical Quantum Mechanical Methods for in Silico Drug Design
Kříž, Kristian ; Řezáč, Jan (advisor) ; Klimeš, Jiří (referee) ; Kolář, Michal (referee)
Optimization of Semiempirical Quantum Mechanical Methods for in Silico Drug Design Doctoral thesis Kristian Kříž The subject of this thesis is the optimization of semiempirical quantum mechanical methods (SQM) for their use in in silico drug design. The thesis covers two topics - COSMO2 solvation model optimization part and PLF547, PLA15 dataset development part. The first part is devoted to the optimization of COSMO solvation model by addition of a nonpolar term and reparametrization of the model for SQM methods PM6 and PM7. We have shown that the accuracy of the resulting "COSMO2" optimized model improved on all the tested datasets and we have compared it to other selected SQM solvation models. The method has also been tested on the protein ligand complexes as a part of a scoring function, where it provides better preditction of binding affinity of drug candidates for their target protein. The second part of the thesis describes the construction of datasets for noncovalent interactions aimed speicificly to represent an environment of an enyzme active site complexed with a ligand with reliable benchmark values of interaction energies in vacuum and solvent (water). The developed PLF547 and PLA15 datasets are suitable for testing and development of methods for the use in drug design. We have...
Image analysis of object surface texture
Klimeš, Jiří ; Horák, Karel (referee) ; Petyovský, Petr (advisor)
This master thesis deals with design and implementation of algorithms for image analysis of object surface texture for the purpose of automating the surface grinding process. In the first part of this thesis, a search was performed in the field of image analysis of object surface texture. The proposed descriptors were tested on the created annotated database of texture images. Subsequently, a scene for image acquisition of the machined object was designed and assembled, and the grinding process was automated based on the results of the previous analysis. The implementation and achieved results were evaluated and other possible improvements were proposed.
Insulin like and other growth factors and tumors
Kučera, Radek ; Topolčan, Ondřej (advisor) ; Klimeš, Jiří (referee) ; Šafarčík, Kristián (referee)
Inzulinu podobné a jiné růstové faktory a nádory Insulin like and other growth factors and tumors Disertační práce Plzeň 2011 Mgr. Radek Kučera Summary The interaction between growth factors and cancer incidence and development has been discussed recently. First works suggesting possible connection between increased production of insulin like growth factors with an increased incidence of tumors came already from early 80s of the last century. The aim of my work was focused on evaluation of possible relation between insulin like growth factors or their binding proteins and tumors from different perspectives, to assess their significance and try to determine what role the IGFs and IGFBPs may play in the current tumor diagnostics. The work itself is divided into two parts, the theoretical and practical ones. In the theoretical part, I summarized the action of IGF in human body and also focused on previous findings on the role of IGF system in cancer diagnoses. In the practical part, divided into three subsections, I focused on investigation of relations in a large set of patients with different cancer diagnoses, in a group of women with breast cancer and, finally, I focused on changes of IGF1 levels during follow-up. Theoretical part Insulin-like growth factors (IGF) are peptides, that participate on growth...
Parameters of Drug Assessment in the Therapy of Rare Diseases
Ornstová, Eva ; Kostřiba, Jan (advisor) ; Klimeš, Jiří (referee)
Charles University in Prague, Faculty of Pharmacy in Hradec Králové Department of Social and Clinical Pharmacy Candidate Mgr. Eva Ornstová Consultant PharmDr. Jan Kostřiba, Ph.D Title of Thesis PARAMETERS OF DRUG ASSESSMENT IN THE THERAPY OF RARE DISEASES KEY WORDS: rare diseases, health technology assessment, health policy, drug policy OBJECTIVES The aim of this study was to find out how can the use of multiple criteria in Health technology assessment (HTA) influence outcome in different drug categories. Especially in relationship to orphan medicinal products. Next objective was to explore, which criteria are the most important in the value of the drug and to measure the difference in the preferences among three stakeholder groups in the Czech Republic. METHODS The set of 10 criteria was selected by the expert panel and 3 model treatments were described. Two-round questionnaire was developed and distributed among highly qualified representatives of three stakeholder groups (patients or carers, clinicians and policy makers). In the first round participants provided weights for each criterion by answering on the scale from 1 to 7. In second round participants scored model treatments according to their performance in each criterion. Normalized weights were combined with scores and treatments were...
Development of HPLC methods for analytical evaluation of drug products and model studies of natural degradation of drug residues.
Nejedlý, Tomáš ; Klimeš, Jiří (advisor) ; Karlíček, Rolf (referee) ; Mikuš, Peter (referee)
Charles University, Faculty of Pharmacy in Hradec Králové Department of Pharmaceutical Chemistry and Pharmaceutical Analysis Candidate Mgr. Tomáš Nejedlý Supervisor prof. RNDr. Jiří Klimeš, CSc. Title of Doctoral Thesis Development of HPLC methods for analytical evaluation of drug products and model studies of natural degradation of drug residues The presented doctoral thesis describes two areas of pharmaceutical analysis. The first part is focused on development of validated chromatographic methods for pharmaceutical-analytical assesment of drug products and their rutine use in quality control laboratories. The second part deals with the very actual topic of environmental analysis and residues of pharmaceutical substances in sewage and surface water. The first developed method is suitable for quality evaluation of cream dosage forms containing aciclovir active substance. This method is suitable for assay of active substance and its three related substances. In addition it is validated for assay of preservatives contained in cream base. The second chromatographic method is developed for determination of tablets containing 1 mg of risperidone antipsychotic drug per tablet. This method was validated for active substance assay and the four mostimportant pharmacopoeial impurities. The last method is...
Granulometry of solid particles
Klimeš, Jiří ; Uher, Miroslav (referee) ; Beneš, Petr (advisor)
This bachelor thesis deals with a real-time granulometry measurement of granulate flow with acoustic emission sensors. Thesis is focused on coal granulometry measurement in thermal power stations. Parameters were introduced in time and frequency domain describing the granulometry of measured medium. The second part is focused on granulometry measurement experiment. Parameters were calculated for reference samples of material and they were evaluated. Third part of this thesis deals with finding correlations between process variables and selected parameters
Convergence of the embedding scheme
Hofierka, Jaroslav ; Klimeš, Jiří (advisor) ; Čížek, Martin (referee)
To obtain accurate adsorption energies of molecules on surfaces is a challenging task as the methods with sufficient accuracy are too computationally demanding to be applied to the systems of interest. Embedding theories provide a natural remedy: focus the computation on a small region and incorporate the effects of the environment. In this thesis, embedding schemes and the response of many-electron systems to an adsorbed impurity are investigated. To this end, two approaches are used: tight-binding and ab initio. In the tight-binding method, the Green's function formalism is studied and explicit expressions for Green's functions of various one- and two-dimensional models are obtained. Using this formalism, we study qualitatively the local density of states and adsorption energies. In the second part of this thesis, state-of-the-art ab initio methods are employed to study convergence of the subtractive embedding scheme for adsorption energies of small closed-shell systems on two-dimensional graphene and hexagonal boron nitride. The efficiency and applicability of the scheme are assessed for neon and hydrogen fluoride as adsorbates. We found that the studied embedding method works better for neon compared to hydrogen fluoride, which may be explained by the use of a two-body dispersion correction.
Real world data and health-economics aspects of treatment of respiratory diseases in the Czech Republic
Valena, Tomáš ; Klimeš, Jiří (advisor) ; Vlček, Jiří (referee)
CharlesUniversityinPrague Faculty of Pharmacy in Hradec Králové Department of Social and Clinical Pharmacy Candidate Mgr. TomášValena Supervisor PharmDr. Jiří Klimeš,Ph.D.,MBA Title of RigorosumThesis Real world data and health-economicaspectsoftreatment of respiratory diseasesinthe CzechRepublic The aim of this PharmD thesis was to present comprehensive commentary on author`s publications focusingonthe healtheconomicsaspectsandreal worlddatainthe areaof healthtechnologiesinthe CzechRepublic,specificallyforrespiratorydiseases. The Health Technology Assessment (HTA) is a multidisciplinary evaluation process that assess information on medical, social, economic (cost-effectiveness and budget impact) and ethical aspects relatedtothe use of ahealthtechnologythroughoutitslifespan.Healtheconomicsandevidencefrom real worldare an integral partof HTA. Research focuses on the importance and application of data collection and adaptation of health economic analyses in conditions of local clinical practice in the treatment of respiratory diseases, namely chronic obstructive pulmonary disease (COPD) and severe asthma. This data could be subsequentlyusedasatool for value demonstrationformanagedentryof the drugwhere there isan uncertaintyfromregulatororpayer,whetheronthe side of outcomesorcosts of intervention. The...
Pharmacoeconomic Analysis of Direct Costs of Treatment of Migraine Disease
Hárovník, Jan ; Klimeš, Jiří (advisor) ; Fuksa, Leoš (referee)
6 1. ABSTRACT Background: This study is primarily aimed at describing migraine illnesses, the existing patient care algorithm with this diagnosis and to estimate the direct costs of treatment of migraine from the point of view of the health care system in the Czech Republic. In the theoretical part, the basic concepts and procedures of health economics and the health technologies assessment are examined, especially the cost-of-illness of the analysis that is conducted in the practical part, namely just on the illness of migraine. Methods: The cost of drugs used to treat migraine is determined using FNHK (Fakultni nemocnice Hradec Kralove) prescription data. Further, using the data on health care (both ambulatory and inpatient care), these services are being appraised and this way the cost of treatment of a patient with the disease estimated from the point of view of the health system in the Czech Republic. Results: The average annual cost of treatment of one patient with episodic migraine was assessed at CZK 1,182 for outpatient care, CZK 786 for hospitalization and CZK 2,707 for medication. For chronic migraines, the average cost is higher and estimated at CZK 3,321 for outpatient care, CZK 2,745 for hospitalization and CZK 7,415 for medication. Conclusions: The total direct annual cost of the patient was...
Insulin like and other growth factors and tumors
Kučera, Radek ; Topolčan, Ondřej (advisor) ; Klimeš, Jiří (referee) ; Šafarčík, Kristian (referee)
Inzulinu podobné a jiné růstové faktory a nádory Insulin like and other growth factors and tumors Disertační práce Plzeň 2011 Mgr. Radek Kučera Summary The interaction between growth factors and cancer incidence and development has been discussed recently. First works suggesting possible connection between increased production of insulin like growth factors with an increased incidence of tumors came already from early 80s of the last century. The aim of my work was focused on evaluation of possible relation between insulin like growth factors or their binding proteins and tumors from different perspectives, to assess their significance and try to determine what role the IGFs and IGFBPs may play in the current tumor diagnostics. The work itself is divided into two parts, the theoretical and practical ones. In the theoretical part, I summarized the action of IGF in human body and also focused on previous findings on the role of IGF system in cancer diagnoses. In the practical part, divided into three subsections, I focused on investigation of relations in a large set of patients with different cancer diagnoses, in a group of women with breast cancer and, finally, I focused on changes of IGF1 levels during follow-up. Theoretical part Insulin-like growth factors (IGF) are peptides, that participate on growth...

National Repository of Grey Literature : 30 records found   1 - 10nextend  jump to record:
See also: similar author names
2 Klimeš, J.
5 Klimeš, Jakub
14 Klimeš, Jan
1 Klimeš, Jan,
2 Klimeš, Jaromír
2 Klimeš, Jonáš
1 Klimeš, Josef
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