1,003 research outputs found
Aman Chandra
No full textAman Chandra received an MS in Aerospace Engineering at Arizona State University. He is currently a PhD student at the Univeristy of Arizona’s department of Aerospace and Mechanical Engineering. His master’s thesis dissertation is on inflatable communication antennas for small satellites. As a former design engineer at General Electric, he specialized in thermo-mechanical design and packaging of ultrasonic transducers and medical imaging systems. He has vast experience in the structural design of CubeSats, small satellite systems and deployable mechanism design. His current research interests include computational geometric modelling of compliant linkages, deployable origami design and packaging methods and non-linear finite element modelling.https://commons.erau.edu/stm-images/1105/thumbnail.jp
Fred Aman Interview
No full textFred Aman served as Dean of the Indiana University School of Law from 1991-2002. He’s an internationally known scholar and lecturer, and the author of numerous books and articles. But the Fred Aman you’ll meet in this interview is also a man of music – someone who just loves a good drum solo! Steve Sanders serves as host for this hour of Profiles.
An episode of the radio program, Profiles, recording in February 2002 in the studios of WFIU in Bloomington, Indiana
Research proposals funded by WhatsApp, categorized by research orientation and geography
No full textThis file contains the list of research awards granted by WhatsApp in 2018, obtained from https://www.whatsapp.com/research/awards/ and https://www.whatsapp.com/research/awards/announcement/. In case this links are broken, please find their archived versions on https://web.archive.org. The classification into Global South and Global North was done by the author
Research proposals funded by WhatsApp, categorized by research orientation and geography
No full textThis file contains the list of research awards granted by WhatsApp in 2018, obtained from https://www.whatsapp.com/research/awards/ and https://www.whatsapp.com/research/awards/announcement/. In case this links are broken, please find their archived versions on https://web.archive.org. The classification into Global South and Global North was done by the author
WhatsApp Research Grants
No full textThis file contains the list of research awards granted by WhatsApp in 2018, obtained from https://www.whatsapp.com/research/awards/ and https://www.whatsapp.com/research/awards/announcement/. In case this links are broken, please find their archived versions on https://web.archive.org.
The classification into Global South and Global North was done by the author
Ligand-Based Approach for In-silico Drug Designing
No full textIn this chapter, a brief introduction to ligand-based methodologies employed for designing of drug has been described. Generally, ligand-based approach for drug designing (LB-CADD) technique is employed when biological target structure is not known and hence, this technique is considered as an ancillary approach for the drug designing. The theoretical basis of ligand-based approach involves quantitative structure–activity relationships (QSAR) and biomolecular docking studies. Like molecular descriptors, molecular fingerprint, similarity searches, similarity networks and off-target predictions. Finally, a brief description of the present work is given
Thermodynamic Cycles and Their Application in Protein Targets
No full textA key part of drug design and development is the optimization of molecular interactions between an engineered drug candidate and its binding target. Thermodynamic characterization provides information about the balance of energetic forces driving binding interactions and is essential for understanding and optimizing molecular interactions. Comprehensive thermodynamic evaluation is vital in the drug development process to speed drug development towards an optimal energetic interaction profile while retaining good pharmacological properties. Practical thermodynamic approaches, such as enthalpic optimization, thermodynamic optimization plots and the enthalpic efficiency index, have now been developed to provide proven utility in design process. Improved throughput in calorimetric methods remains essential for even greater integration of thermodynamics into drug design
Receptor Thermodynamics of Ligand–Receptor or Ligand–Enzyme Association
No full textExperimental techniques that directly assess the thermodynamics of ligand–receptor or ligand–enzyme association, such as isothermal titration calorimetry, have been improved in recent years and can provide thermodynamic details of the binding process. Parallel to the continuous increase in computational power, several classes of computational methods have been developed that can be used to get a more detail insight into the mode and affinity of compounds (drug) to their target (off). Such methods are affiliated with a qualitative and/or quantitative assessment of binding free energies, and differently trade off speed versus physical accuracy. With the current wealth of available three-dimensional structures of proteins and their complexes with ligands, structure-based drug design studies can be used to identify the key ligand interactions and free energy calculations, and can quantify the thermodynamics of binding between ligand and the target of interest
Structure-Based Approach for In-silico Drug Designing
No full textIn recent years, research area of structure-based drug design is a rising field that has been used to achieve many successes. Structure-based computer-aided drug design (SB-CADD) depends on the ability to determine and analyse the 3D structures of the target of interest. In other words, a prerequisite for the SB-CADD approach can be defined based on molecule’s ability to interrelate with a specific ligand, that can be a chemical species or biomolecule such as protein, and a desired biological activity based on its ability to favourably interact at a binding site on the selected target. This purposed that the molecules sharing those favourable interactions will reflect the similar biological effects. Therefore, novel ligands can be predicted and concluded by careful analysis of a protein’s binding site. Also, structure-based approach for drug designing allows a rapid selection of potential ligands from different and large compound libraries that can be later validated through modelling/simulation and visualization techniques
Molecular Dynamics Simulation Approach to Investigate Dynamic Behaviour of System Through the Application of Newtonian Mechanics
No full textMolecular dynamics simulations have been successfully incorporated and evolved into a mature technique within a variety of pharmaceutical research programs to study the complex biological and chemical systems. Broadly used in modern drug design, molecular docking methods can be used effectively to understand the macromolecular structure-to-function relationships and ligand conformations adopted within the binding sites of macromolecular targets. Information gathered about the dynamic properties of ligand–receptor binding such as free energy by evaluating critical phenomena involved in the intermolecular recognition process. These results can be employed to shift the usual paradigm of structural bioinformatics from studying single structures to analyse conformational ensembles. Today, as a variety of docking algorithms are available, an understanding of advantages and limitations of each method is of fundamental importance in the development of effective strategies and the generation of relevant results. The purpose of this chapter is to examine the current molecular docking strategies used in drug discovery and medicinal chemistry, exploring the advancements in the field and role played by integration of structure-and ligand-based methods
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