Air Force Institute of Technology Research Report 2006

This report summarizes the research activities of the Air Force Institute of Technology’s Graduate School of Engineering and Management. It describes research interests and faculty expertise; lists student theses/dissertations; identifies research sponsors and contributions; and outlines the procedures for contacting the school. Included in the report are: faculty publications, conference presentations, consultations, and funded research projects. Research was conducted in the areas of Aeronautical and Astronautical Engineering, Electrical Engineering and Electro-Optics, Computer Engineering and Computer Science, Systems and Engineering Management, Operational Sciences, Mathematics, Statistics and Engineering Physics

Ecology of Periphyton in a Subtropical River Floodplain

The Atchafalaya River Basin (ARB) in southcentral Louisiana, USA, is a large and biologically diverse floodplain surrounding the Atchafalaya River (AR), which is the largest distributary of the Mississippi River, receiving 30% of the combined daily discharge of the Mississippi and Red Rivers. Annual flooding facilitates exchange between the AR and its floodplain and is thought to give rise to the high productivity of the river-floodplain system. Primary production within the aquatic ARB is driven by periphytic algae, phytoplankton, and aquatic macrophytes, however, very little is known about periphytic algal assemblages in floodplain systems. In this study, artificial substrates were used to sample periphytic algae from several areas across the ARB between 2017- 2019, and environmental variables measured along a spatiotemporal gradient were used to better understand the factors influencing periphytic algal assemblages. Lake Verret, which did not have active AR connections, was also sampled to provide a natural control for the purpose of investigating the effect of an annual flood pulse on periphyton assemblage composition. Algae were classified into seven groups that included chrysophytes, centric diatoms, pennate diatoms, chlorophytes, euglenoids, xanthophytes, and cyanobacteria. Periphytic algal assemblages were dominated by chlorophytes in 2017, but then shifted to mainly diatoms in 2018 and 2019. Canonical correspondence analyses (CCAs) indicated this may have been due to differences in macrophyte abundance among years. Overall, algal densities were higher early in the year and lower during the summer, likely related to greater nutrient levels associated with inundation of the floodplain by the AR. CCAs also indicated spatial effects on ARB periphyton with diatoms dominating assemblages near river water inputs and other groups such as chlorophytes increasing in relative abundance further into the floodplain. This is likely related with associated spatial gradients in nitrogen sources, particularly ammonium. During 2019, the ARB experienced intense flooding, which lasted an unprecedented 329 days. Total algal cell abundance increased substantially during the high magnitude flood but diminished as floodwaters receded during the summer. Although variable across years, the AR flood pulse strongly influenced the composition and dynamics of the ARB periphyton assemblage, with spatial and temporal patterns reflecting interactions of nutrient availability, temperature, distance from source water, macrophyte abundance and composition, and shading

Improving System Reliability for Cyber-Physical Systems

Cyber-physical systems (CPS) are systems featuring a tight combination of, and coordination between, the system's computational and physical elements. Cyber-physical systems include systems ranging from critical infrastructure such as a power grid and transportation system to health and biomedical devices. System reliability, i.e., the ability of a system to perform its intended function under a given set of environmental and operational conditions for a given period of time, is a fundamental requirement of cyber-physical systems. An unreliable system often leads to disruption of service, financial cost and even loss of human life. An important and prevalent type of cyber-physical system meets the following criteria: processing large amounts of data; employing software as a system component; running online continuously; having operator-in-the-loop because of human judgment and an accountability requirement for safety critical systems. This thesis aims to improve system reliability for this type of cyber-physical system. To improve system reliability for this type of cyber-physical system, I present a system evaluation approach entitled automated online evaluation (AOE), which is a data-centric runtime monitoring and reliability evaluation approach that works in parallel with the cyber-physical system to conduct automated evaluation along the workflow of the system continuously using computational intelligence and self-tuning techniques and provide operator-in-the-loop feedback on reliability improvement. For example, abnormal input and output data at or between the multiple stages of the system can be detected and flagged through data quality analysis. As a result, alerts can be sent to the operator-in-the-loop. The operator can then take actions and make changes to the system based on the alerts in order to achieve minimal system downtime and increased system reliability. One technique used by the approach is data quality analysis using computational intelligence, which applies computational intelligence in evaluating data quality in an automated and efficient way in order to make sure the running system perform reliably as expected. Another technique used by the approach is self-tuning which automatically self-manages and self-configures the evaluation system to ensure that it adapts itself based on the changes in the system and feedback from the operator. To implement the proposed approach, I further present a system architecture called autonomic reliability improvement system (ARIS). This thesis investigates three hypotheses. First, I claim that the automated online evaluation empowered by data quality analysis using computational intelligence can effectively improve system reliability for cyber-physical systems in the domain of interest as indicated above. In order to prove this hypothesis, a prototype system needs to be developed and deployed in various cyber-physical systems while certain reliability metrics are required to measure the system reliability improvement quantitatively. Second, I claim that the self-tuning can effectively self-manage and self-configure the evaluation system based on the changes in the system and feedback from the operator-in-the-loop to improve system reliability. Third, I claim that the approach is efficient. It should not have a large impact on the overall system performance and introduce only minimal extra overhead to the cyberphysical system. Some performance metrics should be used to measure the efficiency and added overhead quantitatively. Additionally, in order to conduct efficient and cost-effective automated online evaluation for data-intensive CPS, which requires large volumes of data and devotes much of its processing time to I/O and data manipulation, this thesis presents COBRA, a cloud-based reliability assurance framework. COBRA provides automated multi-stage runtime reliability evaluation along the CPS workflow using data relocation services, a cloud data store, data quality analysis and process scheduling with self-tuning to achieve scalability, elasticity and efficiency. Finally, in order to provide a generic way to compare and benchmark system reliability for CPS and to extend the approach described above, this thesis presents FARE, a reliability benchmark framework that employs a CPS reliability model, a set of methods and metrics on evaluation environment selection, failure analysis, and reliability estimation. The main contributions of this thesis include validation of the above hypotheses and empirical studies of ARIS automated online evaluation system, COBRA cloud-based reliability assurance framework for data-intensive CPS, and FARE framework for benchmarking reliability of cyber-physical systems. This work has advanced the state of the art in the CPS reliability research, expanded the body of knowledge in this field, and provided some useful studies for further research

Air Force Institute of Technology Research Report 2007

This report summarizes the research activities of the Air Force Institute of Technology’s Graduate School of Engineering and Management. It describes research interests and faculty expertise; lists student theses/dissertations; identifies research sponsors and contributions; and outlines the procedures for contacting the school. Included in the report are: faculty publications, conference presentations, consultations, and funded research projects. Research was conducted in the areas of Aeronautical and Astronautical Engineering, Electrical Engineering and Electro-Optics, Computer Engineering and Computer Science, Systems and Engineering Management, Operational Sciences, Mathematics, Statistics and Engineering Physics

Dioxomorpholines and Derivatives from a Marine-Facultative Aspergillus Species

[The original abstract for this article contains (characters/images) that cannot be displayed here. Please click on the link below to read the full abstract and article.]]]> 2017 English http://libres.uncg.edu/ir/uncg/f/H_Raja_Dioxomorpholines_2017.pdf oai:libres.uncg.edu/25231 2019-02-27T14:41:40Z UNCG Fungal Planet description sheets: 785–867 NC DOCKS at The University of North Carolina at Greensboro Raja, Huzefa A. <![CDATA[Novel species of fungi described in this study include those from various countries as follows: Angola, Gnomoniopsis angolensis and Pseudopithomyces angolensis on unknown host plants. Australia, Dothiora corymbiae on Corymbia citriodora, Neoeucasphaeria eucalypti (incl. Neoeucasphaeria gen. nov.) on Eucalyptussp., Fumagopsis stellae on Eucalyptus sp., Fusculina eucalyptorum (incl. Fusculinaceae fam. nov.) on Eucalyptus socialis, Harknessia corymbiicola on Corymbia maculata, Neocelosporium eucalypti (incl. Neocelosporium gen. nov., Neocelosporiaceae fam. nov. and Neocelosporiales ord. nov.) on Eucalyptus cyanophylla, Neophaeomoniella corymbiae on Corymbia citriodora, Neophaeomoniella eucalyptigena on Eucalyptus pilularis, Pseudoplagiostoma corymbiicola on Corymbia citriodora, Teratosphaeria gracilis on Eucalyptus gracilis, Zasmidium corymbiae on Corymbia citriodora. Brazil, Calonectria hemileiae on pustules of Hemileia vastatrixformed on leaves of Coffea arabica, Calvatia caatinguensis on soil, Cercospora solani-betacei on Solanum betaceum, Clathrus natalensis on soil, Diaporthe poincianellae on Poincianella pyramidalis, Geastrum piquiriunense on soil, Geosmithia carolliae on wing of Carollia perspicillata, Henningsia resupinata on wood, Penicillium guaibinense from soil, Periconia caespitosa from leaf litter, Pseudocercospora styracina on Styraxsp., Simplicillium filiforme as endophyte from Citrullus lanatus, Thozetella pindobacuensis on leaf litter, Xenosonderhenia coussapoae on Coussapoa floccosa. Canary Islands (Spain), Orbilia amarilla on Euphorbia canariensis. Cape Verde Islands, Xylodon jacobaeus on Eucalyptus camaldulensis. Chile, Colletotrichum arboricola on Fuchsia magellanica. Costa Rica, Lasiosphaeria miniovina on tree branch. Ecuador, Ganoderma chocoense on tree trunk. France, Neofitzroyomyces nerii (incl. Neofitzroyomyces gen. nov.) on Nerium oleander. Ghana, Castanediella tereticornis on Eucalyptus tereticornis, Falcocladium africanum on Eucalyptus brassiana, Rachicladosporium corymbiae on Corymbia citriodora. Hungary, Entoloma silvae-frondosae in Carpinus betulus-Pinus sylvestris mixed forest. Iran, Pseudopyricularia persiana on Cyperus sp.Italy, Inocybe roseascens on soil in mixed forest. Laos, Ophiocordyceps houaynhangensis on Coleoptera larva. Malaysia, Monilochaetes melastomae on Melastoma sp. Mexico, Absidia terrestris from soil. Netherlands, Acaulium pannemaniae, Conioscypha boutwelliae, Fusicolla septimanifiniscientiae, Gibellulopsis simonii, Lasionectria hilhorstii, Lectera nordwiniana, Leptodiscella rintelii, Parasarocladium debruynii and Sarocladium dejongiae (incl. Sarocladiaceae fam. nov.) from soil. New Zealand, Gnomoniopsis rosae on Rosa sp. and Neodevriesia metrosideri on Metrosideros sp. Puerto Rico, Neodevriesia coccolobae on Coccoloba uvifera, Neodevriesia tabebuiae and Alfaria tabebuiae on Tabebuia chrysantha. Russia, Amanita paludosa on bogged soil in mixed deciduous forest, Entoloma tiliae in forest of Tilia × europaea, Kwoniella endophytica on Pyrus communis. South Africa, Coniella diospyri on Diospyros mespiliformis, Neomelanconiella combreti (incl. Neomelanconiellaceae fam. nov. and Neomelanconiella gen. nov.) on Combretum sp., Polyphialoseptoria natalensis on unidentified plant host, Pseudorobillarda bolusanthi on Bolusanthus speciosus, Thelonectria pelargonii on Pelargonium sp. Spain, Vermiculariopsiella lauracearum and Anungitopsis lauri on Laurus novocanariensis, Geosmithia xerotolerans from a darkened wall of a house, Pseudopenidiella gallaica on leaf litter. Thailand, Corynespora thailandica on wood, Lareunionomyces loeiensis on leaf litter, Neocochlearomyces chromolaenae (incl. Neocochlearomyces gen. nov.) on Chromolaena odorata, Neomyrmecridium septatum (incl. Neomyrmecridium gen. nov.), Pararamichloridium caricicola on Carex sp., Xenodactylaria thailandica (incl. Xenodactylariaceae fam. nov. and Xenodactylaria gen. nov.), Neomyrmecridium asiaticum and Cymostachys thailandica from unidentified vine. USA, Carolinigaster bonitoi(incl. Carolinigaster gen. nov.) from soil, Penicillium fortuitum from house dust, Phaeotheca shathenatiana(incl. Phaeothecaceae fam. nov.) from twig and cone litter, Pythium wohlseniorum from stream water, Superstratomyces tardicrescens from human eye, Talaromyces iowaense from office air. Vietnam, Fistulinella olivaceoalba on soil. Morphological and culture characteristics along with DNA barcodes are provided

Fungal Planet description sheets: 785– 867

Novel species of fungi described in this study include those from various countries as follows: Angola, Gnomoniopsis angolensis and Pseudopithomyces angolensis on unknown host plants. Australia, Dothiora corymbiae on Corymbia citriodora, Neoeucasphaeria eucalypti (incl. Neoeucasphaeria gen. nov.)on Eucalyptus sp., Fumagopsis stellae on Eucalyptus sp., Fusculina eucalyptorum (incl. Fusculinaceae fam. nov.) on Eucalyptus socialis, Harknessia corymbiicola on Corymbia maculata, Neocelosporium eucalypti (incl. Neocelosporium gen. nov., Neocelosporiaceae fam. nov. and Neocelosporiales ord. nov.) on Eucalyptus cyanophylla, Neophaeomoniella corymbiae on Corymbia citriodora, Neophaeomoniella eucalyptigena on Eucalyptus pilularis, Pseudoplagiostoma corymbiicola on Corymbia citriodora, Teratosphaeria gracilis on Eucalyptus gracilis, Zasmidium corymbiae on Corymbia citriodora. Brazil, Calonectria hemileiae on pustules of Hemileia vastatrix formed on leaves of Coffea arabica, Calvatia caatinguensis on soil, Cercospora solani-betacei on Solanum betaceum, Clathrus natalensis on soil, Diaporthe poincianellae on Poincianella pyramidalis, Geastrum piquiriunense on soil, Geosmithia carolliae on wing of Carollia perspicillata, Henningsia resupinata on wood, Penicillium guaibinense from soil, Periconia caespitosa from leaf litter, Pseudocercospora styracina on Styrax sp., Simplicillium filiforme as endophyte from Citrullus lanatus, Thozetella pindobacuensis on leaf litter, Xenosonderhenia coussapoae on Coussapoa floccosa. Canary Islands (Spain), Orbilia amarilla on Euphorbia canariensis. Cape Verde Islands, Xylodon jacobaeus on Eucalyptus camaldulensis. Chile, Colletotrichum arboricola on Fuchsia magellanica. Costa Rica, Lasiosphaeria miniovina ontreebranch. Ecuador, Ganoderma chocoense ontreetrunk. France, Neofitzroyomyces nerii (incl. Neofitzroyomyces gen. nov.) on Nerium oleander. Ghana, Castanediella tereticornis on Eucalyptus tereticornis, Falcocladium africanum on Eucalyptus brassiana, Rachicladosporium corymbiae on Corymbia citriodora. Hungary, Entoloma silvae-frondosae in Carpinus betulus-Pinus sylvestris mixedforest. Iran, Pseudopyricularia persiana on Cyperus sp. Italy, Inocybe roseascens onsoilinmixedforest. Laos, Ophiocordyceps houaynhangensis on Coleoptera larva. Malaysia, Monilochaetes melastomae on Melastoma sp. Mexico, Absidia terrestris fromsoil. Netherlands, Acaulium pannemaniae, Conioscypha boutwelliae, Fusicolla septimanifiniscientiae, Gibellulopsis simonii, Lasionectria hilhorstii, Lectera nordwiniana, Leptodiscella rintelii, Parasarocladium debruynii and Sarocladium dejongiae (incl. Sarocladiaceae fam. nov.) fromsoil. New Zealand, Gnomoniopsis rosae on Rosa sp. and Neodevriesia metrosideri on Metrosideros sp. Puerto Rico, Neodevriesia coccolobae on Coccoloba uvifera, Neodevriesia tabebuiae and Alfaria tabebuiae on Tabebuia chrysantha . Russia, Amanita paludosa on bogged soil in mixed deciduous forest, Entoloma tiliae in forest of Tilia × europaea, Kwoniella endophytica on Pyrus communis. South Africa, Coniella diospyri on Diospyros mespiliformis, Neomelanconiella combreti (incl. Neomelanconiellaceae fam. nov. and Neomelanconiella gen. nov.)on Combretum sp., Polyphialoseptoria natalensis on unidentified plant host, Pseudorobillarda bolusanthi on Bolusanthus speciosus, Thelonectria pelargonii on Pelargonium sp. Spain, Vermiculariopsiella lauracearum and Anungitopsis lauri on Laurus novocanariensis, Geosmithia xerotolerans from a darkened wall of a house, Pseudopenidiella gallaica on leaf litter. Thailand, Corynespora thailandica on wood, Lareunionomyces loeiensis on leaf litter, Neocochlearomyces chromolaenae (incl. Neocochlearomyces gen. nov.) on Chromolaena odorata, Neomyrmecridium septatum (incl. Neomyrmecridium gen. nov .), Pararamichloridium caricicola on Carex sp., Xenodactylaria thailandica (incl. Xenodactylariaceae fam. nov. and Xenodactylaria gen. nov.), Neomyrmecridium asiaticum and Cymostachys thailandica fromunidentifiedvine. USA, Carolinigaster bonitoi (incl. Carolinigaster gen. nov.)fromsoil, Penicillium fortuitum from house dust, Phaeotheca shathenatiana (incl. Phaeothecaceae fam. nov.) from twig and cone litter, Pythium wohlseniorum from stream water, Superstratomyces tardicrescens from human eye, Talaromyces iowaense from officeair. Vietnam, Fistulinella olivaceoalba onsoil. Morphological and culture characteristics along with DNA barcodes are provided Novel species of fungi described in this study include those from various countries as follows: Angola, Gnomoniopsis angolensis and Pseudopithomyces angolensis on unknown host plants. Australia, Dothiora corymbiae on Corymbia citriodora, Neoeucasphaeria eucalypti (incl. Neoeucasphaeria gen. nov.)on Eucalyptus sp., Fumagopsis stellae on Eucalyptus sp., Fusculina eucalyptorum (incl. Fusculinaceae fam. nov.) on Eucalyptus socialis, Harknessia corymbiicola on Corymbia maculata, Neocelosporium eucalypti (incl. Neocelosporium gen. nov., Neocelosporiaceae fam. nov. and Neocelosporiales ord. nov.) on Eucalyptus cyanophylla, Neophaeomoniella corymbiae on Corymbia citriodora, Neophaeomoniella eucalyptigena on Eucalyptus pilularis, Pseudoplagiostoma corymbiicola on Corymbia citriodora, Teratosphaeria gracilis on Eucalyptus gracilis, Zasmidium corymbiae on Corymbia citriodora. Brazil, Calonectria hemileiae on pustules of Hemileia vastatrix formed on leaves of Coffea arabica, Calvatia caatinguensis on soil, Cercospora solani-betacei on Solanum betaceum, Clathrus natalensis on soil, Diaporthe poincianellae on Poincianella pyramidalis, Geastrum piquiriunense on soil, Geosmithia carolliae on wing of Carollia perspicillata, Henningsia resupinata on wood, Penicillium guaibinense from soil, Periconia caespitosa from leaf litter, Pseudocercospora styracina on Styrax sp., Simplicillium filiforme as endophyte from Citrullus lanatus, Thozetella pindobacuensis on leaf litter, Xenosonderhenia coussapoae on Coussapoa floccosa. Canary Islands (Spain), Orbilia amarilla on Euphorbia canariensis. Cape Verde Islands, Xylodon jacobaeus on Eucalyptus camaldulensis. Chile, Colletotrichum arboricola on Fuchsia magellanica. Costa Rica, Lasiosphaeria miniovina ontreebranch. Ecuador, Ganoderma chocoense ontreetrunk. France, Neofitzroyomyces nerii (incl. Neofitzroyomyces gen. nov.) on Nerium oleander. Ghana, Castanediella tereticornis on Eucalyptus tereticornis, Falcocladium africanum on Eucalyptus brassiana, Rachicladosporium corymbiae on Corymbia citriodora. Hungary, Entoloma silvae-frondosae in Carpinus betulus-Pinus sylvestris mixedforest. Iran, Pseudopyricularia persiana on Cyperus sp. Italy, Inocybe roseascens onsoilinmixedforest. Laos, Ophiocordyceps houaynhangensis on Coleoptera larva. Malaysia, Monilochaetes melastomae on Melastoma sp. Mexico, Absidia terrestris fromsoil. Netherlands, Acaulium pannemaniae, Conioscypha boutwelliae, Fusicolla septimanifiniscientiae, Gibellulopsis simonii, Lasionectria hilhorstii, Lectera nordwiniana, Leptodiscella rintelii, Parasarocladium debruynii and Sarocladium dejongiae (incl. Sarocladiaceae fam. nov.) fromsoil. New Zealand, Gnomoniopsis rosae on Rosa sp. and Neodevriesia metrosideri on Metrosideros sp. Puerto Rico, Neodevriesia coccolobae on Coccoloba uvifera, Neodevriesia tabebuiae and Alfaria tabebuiae on Tabebuia chrysantha. Russia, Amanita paludosa on bogged soil in mixed deciduous forest, Entoloma tiliae in forest of Tilia × europaea, Kwoniella endophytica on Pyrus communis. South Africa, Coniella diospyri on Diospyros mespiliformis, Neomelanconiella combreti (incl. Neomelanconiellaceae fam. nov. and Neomelanconiella gen. nov.)on Combretum sp., Polyphialoseptoria natalensis on unidentified plant host, Pseudorobillarda bolusanthi on Bolusanthus speciosus, Thelonectria pelargonii on Pelargonium sp. Spain, Vermiculariopsiella lauracearum and Anungitopsis lauri on Laurus novocanariensis, Geosmithia xerotolerans from a darkened wall of a house, Pseudopenidiella gallaica on leaf litter. Thailand, Corynespora thailandica on wood, Lareunionomyces loeiensis on leaf litter, Neocochlearomyces chromolaenae (incl. Neocochlearomyces gen. nov.) on Chromolaena odorata, Neomyrmecridium septatum (incl. Neomyrmecridium gen. nov .), Pararamichloridium caricicola on Carex sp., Xenodactylaria thailandica (incl. Xenodactylariaceae fam. nov. and Xenodactylaria gen. nov.), Neomyrmecridium asiaticum and Cymostachys thailandica fromunidentifiedvine. USA, Carolinigaster bonitoi (incl. Carolinigaster gen. nov.)fromsoil, Penicillium fortuitum from house dust, Phaeotheca shathenatiana (incl. Phaeothecaceae fam. nov.) from twig and cone litter, Pythium wohlseniorum from stream water, Superstratomyces tardicrescens from human eye, Talaromyces iowaense from officeair. Vietnam, Fistulinella olivaceoalba onsoil. Morphological and culture characteristics along with DNA barcodes are provided

Air Force Institute of Technology Research Report 2010

This report summarizes the research activities of the Air Force Institute of Technology’s Graduate School of Engineering and Management. It describes research interests and faculty expertise; lists student theses/dissertations; identifies research sponsors and contributions; and outlines the procedures for contacting the school. Included in the report are: faculty publications, conference presentations, consultations, and funded research projects. Research was conducted in the areas of Aeronautical and Astronautical Engineering, Electrical Engineering and Electro-Optics, Computer Engineering and Computer Science, Systems and Engineering Management, Operational Sciences, Mathematics, Statistics and Engineering Physic

Nuclear Fusion Programme: Annual Report of the Association Karlsruhe Institute of Technology/EURATOM ; January 2013 - December 2013 (KIT Scientific Reports ; 7671)

The Karlsruhe Institute of Technology (KIT) is working in the framework of the European Fusion Programme on key technologies in the areas of superconducting magnets, microwave heating systems (Electron-Cyclotron-Resonance-Heating, ECRH), the deuterium-tritium fuel cycle, He-cooled breeding blankets, a He-cooled divertor and structural materials, as well as refractory metals for high heat flux applications including a major participation in the preparation of the international IFMIF project

In-silico discovery and experimental verification of excipients for biologics

Protein-based pharmaceuticals such as monoclonal antibodies are the fastest growing class of therapeutic agent. As with all protein therapeutics, antibody aggregation must be avoided during production, storage and use. With recent advances in computing power, it is becoming feasible to simulate protein-protein interactions in-silico. Combining computational and experimental studies may offer a platform solution to design specific in-process stabilisers and excipients to accelerate the development of aggregation-resistant formulations. An antibody Fv fragment was first evaluated to understand the early stages of aggregate formation by identifying aggregation-prone regions. Three-dimensional structural information and protein-protein docking were used to identify exposed hydrophobic patches. Virtual screening was used to identify compounds that bind to the exposed hydrophobic patches as a means to prevent Fv-Fv interactions that could result in aggregation. An excipient with the highest calculated binding affinity was found to prevent Fv-Fv interactions as determined with the diffusion interaction parameter (kD) using DLS. Excipient performance was then evaluated using coarse-grained molecular dynamics (MD) simulations with MARTINI force field to provide a more in-depth view on Fv fragment dimer complex formation. Simulation results were further evaluated with free-energy calculations but these free-energy calculations were found to produce highly variable and therefore unreliable results. This coarse-grained MD approach was also used to virtually screen a library of dipeptides to identify peptide excipients. The results revealed a positive correlation between the calculated mean interaction energies and the diffusion interaction parameter measured with DLS. Use of the MD approach was further extended to accommodate challenging an antibody without published structural data through homology modelling and to suggest possible excipients to prevent high-affinity antibody-antibody interactions. Therefore this MD approach could potentially be used as a first step for the selection of excipients for antibodies