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1

Electronegativity and Bader's bond critical point

Sanchita Hati, Dipankar Datta

Journal:

Journal of Computational Chemistry

Year:

1992

Language:

english

File:

PDF, 521 KB

english, 1992

2

Cyclic Changes in Active Site Polarization and Dynamics Drive the ‘Ping-pong’ Kinetics in NRH:Quinone Oxidoreductase 2: An Insight from QM/MM Simulations

Reinhardt, Clorice R, Hu, Quin H., Bresnahan, Caitlin G, Hati, Sanchita, Bhattacharyya, Sudeep

Journal:

Year:

2018

Language:

english

File:

PDF, 1.14 MB

english, 2018

3

Nickel2+-Mediated Assembly of an RNA-Amino Acid Complex

Sanchita Hati, Amy R. Boles, John M. Zaborske, Brett Bergman, Amanda L. Posto, Donald H. Burke

Journal:

Chemistry & Biology

Year:

2003

Language:

english

File:

PDF, 317 KB

english, 2003

4

Role of Coupled Dynamics in the Catalytic Activity of Prokaryotic-like Prolyl-tRNA Synthetases

Sanford, Brianne, Cao, Bach, Johnson, James M., Zimmerman, Kurt, Strom, Alexander M., Mueller, Robyn M., Bhattacharyya, Sudeep, Musier-Forsyth, Karin, Hati, Sanchita

Journal:

Year:

2012

Language:

english

File:

PDF, 583 KB

english, 2012

5

Drago’se, candtparameters for some mono- and bivalent metal ions. Lack of correspondence with Pearson’s chemical hardness

Sanchita Hati, Dipankar Datta

Journal:

Journal of Chemical Sciences

Year:

1996

Language:

english

File:

PDF, 256 KB

english, 1996

6

Hardness: A concept in inorganic chemistry. Some aspects

Sanchita Hati, Dipankar Datta

Journal:

Journal of Chemical Sciences

Year:

1996

Language:

english

File:

PDF, 797 KB

english, 1996

7

A molecular orbital approach towards designing ligand constants

Jnan Prakash Naskar, Sanchita Hati, Dipankar Datta

Journal:

Journal of Chemical Sciences

Year:

1996

Language:

english

File:

PDF, 336 KB

english, 1996

8

Multiple Pathways Promote Dynamical Coupling between Catalytic Domains in Escherichia coli Prolyl-tRNA Synthetase

Johnson, James M., Sanford, Brianne L., Strom, Alexander M., Tadayon, Stephanie N., Lehman, Brent P., Zirbes, Arrianna M., Bhattacharyya, Sudeep, Musier-Forsyth, Karin, Hati, Sanchita

Journal:

Year:

2013

Language:

english

File:

PDF, 2.56 MB

english, 2013

9

First structurally characterised metal complex of a 2H-benzimidazole derivative. Copper mediated synthesis of 2,2-dimethyl-2H-benzimidazole from 1,2-phenylenediamine and acetone

Hati, Sanchita, Patra, Goutam K., Naskar, Jnan P., Drew, Michael G. B., Datta, Dipankar

Journal:

New Journal of Chemistry

Year:

2001

Language:

english

File:

PDF, 111 KB

english, 2001

10

Comparative modeling of the phosphatase and kinase domains of protein tyrosine phosphatase and insulin receptor kinase from Drosophila melanogaster (DPTP61fm), and a computational study of their mutual interactions

Hati, Sanchita, Bhattacharyya, Sudeep, Price, James V, Tracey, Alan S

Journal:

Biochemistry and Cell Biology

Year:

2002

File:

PDF, 1.31 MB

2002

11

Probing the global and local dynamics of aminoacyl-tRNA synthetases using all-atom and coarse-grained simulations

Strom, Alexander M., Fehling, Samuel C., Bhattacharyya, Sudeep, Hati, Sanchita

Journal:

Journal of Molecular Modeling

Year:

2014

Language:

english

File:

PDF, 4.38 MB

english, 2014

12

Strictly Conserved Lysine of Prolyl-tRNA Synthetase Editing Domain Facilitates Binding and Positioning of Misacylated tRNA Pro

Bartholow, Thomas G., Sanford, Brianne L., Cao, Bach, Schmit, Heidi L., Johnson, James M., Meitzner, Jet, Bhattacharyya, Sudeep, Musier-Forsyth, Karin, Hati, Sanchita

Journal:

Year:

2014

Language:

english

File:

PDF, 2.13 MB

english, 2014

13

Interplay of Flavin’s Redox States and Protein Dynamics: An Insight from QM/MM Simulations of Dihydronicotinamide Riboside Quinone Oxidoreductase 2

Mueller, Robyn M., North, Michael A., Yang, Chee, Hati, Sanchita, Bhattacharyya, Sudeep

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 3.29 MB

english, 2011

14

Anomeric effect and hardness

Hati, Sanchita, Datta, Dipankar

Journal:

Journal of Organic Chemistry

Year:

1992

Language:

english

File:

PDF, 287 KB

english, 1992

15

Vanadium(V) Complexes of α-Hydroxycarboxylic Acids in Aqueous Solution

Hati, Sanchita, Batchelor, Raymond J., Einstein, Frederick W. B., Tracey, Alan S.

Journal:

Inorganic Chemistry

Year:

2001

Language:

english

File:

PDF, 93 KB

english, 2001

16

Nature of the active sites in haemocyanin and iron nickel hydrogenases: the bond valence sum approach

Hati, Sanchita, Datta, Dipankar

Journal:

Journal of the Chemical Society Dalton Transactions

Year:

1995

Language:

english

File:

PDF, 859 KB

english, 1995

17

Chemical hardness of metal ions in the gas phase: a thermochemical approach

Hati, Sanchita, Datta, Dipankar

Journal:

Journal of the Chemical Society Dalton Transactions

Year:

1994

Language:

english

File:

PDF, 417 KB

english, 1994

18

Additions and corrections

Datta, Dipankar, Singh, S. Nabakishwar, Hati, Sanchita

Journal:

Journal of the Chemical Society Dalton Transactions

Year:

1994

Language:

english

File:

PDF, 69 KB

english, 1994

19

First example of a copper(i)–water bond. Synthesis and structure of polymeric poly-μ-2,3-diphenylquinoxaline–(aqua)copper(i) cation

askar, Jnan P.N, Hati, Sanchita, Datta, Dipankar, Tocher, Derek A.

Journal:

Chemical Communications

Year:

1997

Language:

english

File:

PDF, 132 KB

english, 1997

20

Hardness and Electric Dipole Polarizability. Atoms and Clusters

Hati, Sanchita, Datta, Dipankar

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 447 KB

english, 1994

21

At Most, Only One Electron Can Be Added to a Free Atom in Gas Phase †

Hati, Sanchita, Datta, Dipankar

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 137 KB

english, 1996

22

Polarizability of an Ion in a Molecule. Applications of Rittner's Model to Alkali Halides and Hydrides Revisited ‡

Hati, Sanchita, Datta, Barnali, Datta, Dipankar

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 295 KB

english, 1996

23

Electronegativity and Static Electric Dipole Polarizability of Atomic Species. A Semiempirical Relation

Hati, Sanchita, Datta, Dipankar

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 570 KB

english, 1995

24

Incorporating modeling and simulations in undergraduate biophysical chemistry course to promote understanding of structure-dynamics-function relationships in proteins

Hati, Sanchita, Bhattacharyya, Sudeep

Journal:

Biochemistry and Molecular Biology Education

Year:

2016

Language:

english

File:

PDF, 2.26 MB

english, 2016

25

Crowder-Induced Conformational Ensemble Shift in Escherichia coli Prolyl-tRNA Synthetase

Adams, Lauren M., Andrews, Ryan J., Hu, Quin H., Schmit, Heidi L., Hati, Sanchita, Bhattacharyya, Sudeep

Journal:

Biophysical Journal

Year:

2019

Language:

english

File:

PDF, 2.60 MB

english, 2019

26

Crowder-Induced Conformational Ensemble Shift in Escherichia coli Prolyl-tRNA Synthetase

Adams, Lauren M., Andrews, Ryan J., Hu, Quin H., Schmit, Heidi L., Hati, Sanchita, Bhattacharyya, Sudeep

Journal:

Biophysical Journal

Year:

2019

File:

PDF, 2.60 MB

2019

27

Impact of ThiolâDisulfide Balance on the Binding of Covid-19 Spike Protein with Angiotensin-Converting Enzyme 2 Receptor

Hati, Sanchita, Bhattacharyya, Sudeep

Journal:

Year:

2020

File:

PDF, 2.99 MB

2020

28

Editing Domain Motions Preorganize the Synthetic Active Site of Prolyl-tRNA Synthetase

Hu, Quin H, Williams, Murphi, Shulgina, Irina, Fossum, Carl, Weeks, Katelyn, Adams, Lauren, Reinhardt, Clorice R., Musier-Forsyth, Karin, Hati, Sanchita, Bhattacharyya, Sudeep

Journal:

Year:

2020

File:

PDF, 3.47 MB

2020