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Asian Journal of Biomedical and Pharmaceutical Sciences | ISSN: 2249-622X | Volume 8
&
Joint Event
Chemistry and Organic Chemistry
Biomedicine & Pharmacotherapy
International Conference on
8
th
World Congress on
October 22-23, 2018 | Frankfurt, Germany
Investigations and computation of chemicals used in advanced technological research for the
prevention of diseases in present scenario
Myle Akshay Kiran
Jawaharlal Nehru Technological University, India
I
nvestigations of Chemicals - computational investigations of
hydrogen bonding, with regard to the most common red shift
in the vibrational frequency, as well as the less common blue
shift in several hydrogen bonded systems. thereby generating
new insight into both types of the frequency shifts. Thus, the
frequency shifts in X—H—Y hydrogen bonded systems at
different H—Y distances are shown to correlate well with the
Mulliken charges on H and Y, with the positive and negative
charges on Y correlating with the blue and red shift of the
frequency of X—H vibration, respectively. The role played by
charge transfers at other parts of the interacting system is also
discussed.
Advanced computation - advances in computing have facilitated
major progress in computational chemistry and biochemistry,
computational materials design, computational fluid dynamics,
process synthesis, planning and scheduling, model-based process
control, fault diagnosis, and real-time process optimization.
Investigations by involving indicators - investigations have revealed
something of more significance By examining lower-consequence,
higher-frequency occurrences, companies may avoid those rare
incidents that causemajor consequences. The twomost significant
roles incident investigations can play in comprehensive process.
Computation of electrons - electronic structure is the state
of motion of electrons in an electrostatic field created by
stationary nuclei. The term encompass both the wave
functions of the electrons and the energies associated with
them. Electronic structure is obtained by solving quantum
mechanical equations for the aforementioned clamped-nuclei
problem. Electronic structure problems arise from the Born–
Oppenheimer approximation. Along with nuclear dynamics
problem, electronic structure problem is one of the two steps to
study quantum mechanical motion of a molecular system, we
design the molecule with protein structure, lead optimization
is multi optimization, the rate at which drug action undergoes
in solubility and Computational methods and techniques
differently we can predict it, it can help by the structure
based drug discovery and Computational analysis, Designing
chemicals - Designing approaches for particular fragments site
for screening and available solids, Pharmacophores, fragment-
based properties, profile similarity and structural similarity, and
theoretical conditions when working with protein structures,
ligands conformation energies are the important as protein
ligands interactions energies, ligands based modeling methods,
are very active and effinity when having protein structures.
Speaker Biography
Myle Akshay Kiran is an International Research Scholar and Doctor of Pharmacy at
the Jawaharlal Nehru Technological University at India. His area of research is in
immunization vaccine. He has been the Editor of many Journal publications and
presented his research work at various conferences.
e:
myleakshaykiran@gmail.comMyle Akshay Kiran, Chemistry and Biomedicine 2018, Volume 8
DOI: 10.4066/2249-622X-C4-012