Jana Khandogin: search on Z-Library

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1

Smooth Solvation Method for d-Orbital Semiempirical Calculations of Biological Reactions. 2. Application to Transphosphorylation Thio Effects in Solution

Gregersen, Brent A., Khandogin, Jana, Thiel, Walter, York, Darrin M.

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 212 KB

english, 2005

2

A Stable Hyponitrite-Bridged Iron Porphyrin Complex

Xu, Nan, Campbell, Adam L. O., Powell, Douglas R., Khandogin, Jana, Richter-Addo, George B.

Journal:

Journal of the American Chemical Society

Year:

2009

Language:

english

File:

PDF, 338 KB

english, 2009

3

A density functional study of nuclear magnetic resonance spin–spin coupling constants in transition-metal systems

Jana Khandogin, Tom Ziegler

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

1999

Language:

english

File:

PDF, 210 KB

english, 1999

4

Recent advances in implicit solvent-based methods for biomolecular simulations

Jianhan Chen, Charles L Brooks III, Jana Khandogin

Journal:

Current Opinion in Structural Biology

Year:

2008

Language:

english

File:

PDF, 358 KB

english, 2008

5

Electrostatic Interaction In The Unfolded States Of Proteins

Khandogin, Jana

Journal:

Biophysical Journal

Year:

2009

Language:

english

File:

PDF, 39 KB

english, 2009

6

Smooth Solvation Method for d-Orbital Semiempirical Calculations of Biological Reactions. 1. Implementation

Khandogin, Jana, Gregersen, Brent A., Thiel, Walter, York, Darrin M.

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 165 KB

english, 2005

7

Quantum Mechanical Characterization of Nucleic Acids in Solution: A Linear-Scaling Study of Charge Fluctuations in DNA and RNA

Khandogin, Jana, York, Darrin M.

Journal:

Journal of Physical Chemistry B

Year:

2002

Language:

english

File:

PDF, 104 KB

english, 2002

8

Evidence for a Catalytic Dyad in the Active Site of Homocitrate Synthase from Saccharomyces cerevisiae †

Qian, Jinghua, Khandogin, Jana, West, Ann H., Cook, Paul F.

Journal:

Year:

2008

Language:

english

File:

PDF, 1023 KB

english, 2008

9

Electronic structure properties of solvated biomolecules: A quantum approach for macromolecular characterization

Jana Khandogin, Anguang Hu, Darrin M. York

Journal:

Journal of Computational Chemistry

Year:

2000

Language:

english

File:

PDF, 2.71 MB

english, 2000

10

Folding Intermediate in the Villin Headpiece Domain Arises from Disruption of a N-Terminal Hydrogen-Bonded Network

Khandogin, Jana, Raleigh, Daniel P., Brooks, Charles L.

Journal:

Journal of the American Chemical Society

Year:

2007

Language:

english

File:

PDF, 285 KB

english, 2007

11

Toward the Accurate First-Principles Prediction of Ionization Equilibria in Proteins †

Khandogin, Jana, Brooks, Charles L.

Journal:

Year:

2006

Language:

english

File:

PDF, 109 KB

english, 2006

12

Quantum descriptors for biological macromolecules from linear-scaling electronic structure methods

Jana Khandogin, Darrin M. York

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2004

Language:

english

File:

PDF, 364 KB

english, 2004

13

Constant pH Molecular Dynamics with Proton Tautomerism

Khandogin, Jana, Brooks, Charles L.

Journal:

Biophysical Journal

Year:

2005

Language:

english

File:

PDF, 331 KB

english, 2005

14

Revisiting Magnesium Chelation by Teichoic Acid with Phosphorus Solid-State NMR and Theoretical Calculations

Wickham, Jason R., Halye, Jeffrey L., Kashtanov, Stepan, Khandogin, Jana, Rice, Charles V.

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 745 KB

english, 2009

15

A Simple Relativistic Correction to the Nuclear Spin−Spin Coupling Constant

Khandogin, Jana, Ziegler, Tom

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 132 KB

english, 2000

16

Insights into the Regioselectivity and RNA-binding Affinity of HIV-1 Nucleocapsid Protein from Linear-scaling Quantum Methods

Jana Khandogin, Karin Musier-Forsyth, Darrin M. York

Journal:

Journal of Molecular Biology

Year:

2003

Language:

english

File:

PDF, 1008 KB

english, 2003

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