Search Results - "Sahai, M A"
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De novo mutation in the dopamine transporter gene associates dopamine dysfunction with autism spectrum disorder
Published in Molecular psychiatry (01-12-2013)“…De novo genetic variation is an important class of risk factors for autism spectrum disorder (ASD). Recently, whole-exome sequencing of ASD families has…”
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Aerosol indirect effect during the aberrant Indian Summer Monsoon breaks of 2009
Published in Atmospheric environment (1994) (01-12-2012)“…The significant role of aerosol–cloud interaction during the large-scale drought producing breaks of 2009 Indian Summer Monsoon is investigated in the present…”
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First Principle Computational Study on the Full Conformational Space of l-Proline Diamides
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (24-03-2005)“…Ab initio molecular orbital computations were carried out at three levels of theory: RHF/3-21G, RHF/6-31G(d), and B3LYP/6-31G(d), on four model systems of the…”
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Toward a computed peptide structure database: The role of a universal atomic numbering system of amino acids in peptides and internal hierarchy of database
Published in International journal of quantum chemistry (2002)“…With the construction and implementation of a logical and standardized numbering of atomic nuclei, to define mono‐, di‐, and oligo‐peptide systems, automation…”
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A modular numbering system of selected oligopeptides for molecular computations: using pre-computed amino acid building blocks
Published in Journal of molecular structure. Theochem (29-12-2003)“…A standardized numbering system has been developed to define the relative spatial orientation of all constituent atomic nuclei in model peptide systems. The…”
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An ab initio exploratory study of the full conformational space of MeCO- l-threonine-NH-Me
Published in Journal of molecular structure. Theochem (29-12-2003)“…Ab initio molecular computations were carried out on N- and C-protected l-threonine. Molecular geometry optimizations were conducted on the 81 possible minimum…”
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An ab initio exploratory study on selected conformational features of MeCO- l-Ala- l-Ala- l-Ala-NH-Me as a XxxYyyZzz tripeptide motif within a protein structure
Published in Journal of molecular structure. Theochem (29-12-2003)“…A conformational study of the tripeptide model MeCO- l-Ala- l-Ala- l-Ala-NH-Me was carried out using ab initio molecular orbital computations in order to…”
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A model study of the IgA hinge region: an exploratory study of selected backbone conformations of MeCO- l-Pro- l-Thr-NH-Me
Published in Journal of molecular structure. Theochem (29-12-2003)“…Using the principles of multidimensional conformational analysis (MDCA), an approximate geometry for selected conformations of MeCO-Pro-Thr-NH-Me, the central…”
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An ab initio exploratory study on the conformational features of the dipeptide MeCO-Ala-Ala-NH-Me in its four different configurations: determination of the behaviour of d-enantiomer amino acids within a peptide chain
Published in Journal of molecular structure. Theochem (29-12-2003)“…Ab initio conformational studies at the RHF/3-21G level of theory were carried out for the dipeptide MeCO-Ala-Ala-NH-Me in its four different configurations…”
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