Diwakar Shukla: search on Z-Library

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1

Markov State Models Provide Insights into Dynamic Modulation of Protein Function

Shukla, Diwakar, Hernández, Carlos X., Weber, Jeffrey K., Pande, Vijay S.

Journal:

Accounts of Chemical Research

Year:

2015

Language:

english

File:

PDF, 5.54 MB

english, 2015

2

Dynamic-template-directed multiscale assembly for large-area coating of highly-aligned conjugated polymer thin films

Mohammadi, Erfan, Zhao, Chuankai, Meng, Yifei, Qu, Ge, Zhang, Fengjiao, Zhao, Xikang, Mei, Jianguo, Zuo, Jian-Min, Shukla, Diwakar, Diao, Ying

Journal:

Nature Communications

Year:

2017

Language:

english

File:

PDF, 2.76 MB

english, 2017

3

Frontispiece: Universality of the Sodium Ion Binding Mechanism in Class A G-Protein-Coupled Receptors

Selvam, Balaji, Shamsi, Zahra, Shukla, Diwakar

Journal:

Angewandte Chemie International Edition

Year:

2018

File:

PDF, 21.35 MB

2018

4

Frontispiz: Universality of the Sodium Ion Binding Mechanism in Class A G-Protein-Coupled Receptors

Selvam, Balaji, Shamsi, Zahra, Shukla, Diwakar

Journal:

Angewandte Chemie

Year:

2018

File:

PDF, 21.33 MB

2018

5

Structural consequences of multisite phosphorylation in the BAK1 kinase domain

Moffett, Alexander S., Shukla, Diwakar

Journal:

Biophysical Journal

Year:

2020

Language:

english

File:

PDF, 10.77 MB

english, 2020

6

[IEEE 2020 2nd International Conference on Data, Engineering and Applications (IDEA) - Bhopal, India (2020.2.28-2020.2.29)] 2nd International Conference on Data, Engineering and Applications (IDEA) - A Parameter Estimation Model of Big Data Setup Based on Sampling Technique

Alim, Abdul, Shukla, Diwakar

Year:

2020

File:

PDF, 2.77 MB

2020

7

Sampling-based estimation method for parameter estimation in big data business era

Alim, Abdul, Shukla, Diwakar

Journal:

Journal of Advances in Management Research

Year:

2020

File:

PDF, 2.39 MB

2020

8

ChemInform Abstract: Synthesis and Antimicrobial Potential of Mannich Bases of 4-Chloro-3-{4-(chlorobenzyloxy)-benzoylhydrazono}-indolin-2-ones.

Nisheeth Rastogi, Darwin Anil Harrison, Diwakar Tripathi, Sarveshwar Shukla

Journal:

Year:

2010

File:

PDF, 29 KB

2010

9

Molecular level insight into intra-solvent interaction effects on protein stability and aggregation

Diwakar Shukla, Curtiss P. Schneider, Bernhardt L. Trout

Journal:

Advanced Drug Delivery Reviews

Year:

2011

Language:

english

File:

PDF, 655 KB

english, 2011

10

Complex Interactions between Molecular Ions in Solution and Their Effect on Protein Stability

Shukla, Diwakar, Schneider, Curtiss P., Trout, Bernhardt L.

Journal:

Journal of the American Chemical Society

Year:

2011

Language:

english

File:

PDF, 838 KB

english, 2011

11

ChemInform Abstract: Synthesis of a New Series of Oxadiazoles and Triazoles as Antimicrobial Agents.

Nisheeth Rastogi, Padam Kant, Rakesh Sethi, Sarveshwar Shukla, Diwakar Tripathi

Journal:

Year:

2012

File:

PDF, 32 KB

2012

12

Interaction of Arginine with Proteins and the Mechanism by Which It Inhibits Aggregation

Shukla, Diwakar, Trout, Bernhardt L.

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 4.22 MB

english, 2010

13

To milliseconds and beyond: challenges in the simulation of protein folding

Lane, Thomas J, Shukla, Diwakar, Beauchamp, Kyle A, Pande, Vijay S

Journal:

Current Opinion in Structural Biology

Year:

2013

Language:

english

File:

PDF, 941 KB

english, 2013

14

Effects of PAMAM Dendrimer Salt Solutions on Protein Stability

Shukla, Diwakar, Schneider, Curtiss P., Trout, Bernhardt L.

Journal:

The Journal of Physical Chemistry Letters

Year:

2011

Language:

english

File:

PDF, 940 KB

english, 2011

15

OpenMM 4: A Reusable, Extensible, Hardware Independent Library for High Performance Molecular Simulation

Eastman, Peter, Friedrichs, Mark S., Chodera, John D., Radmer, Randall J., Bruns, Christopher M., Ku, Joy P., Beauchamp, Kyle A., Lane, Thomas J., Wang, Lee-Ping, Shukla, Diwakar, Tye, Tony, Houston,

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 323 KB

english, 2013

16

Understanding the Role of Arginine as an Eluent in Affinity Chromatography via Molecular Computations

Shukla, Diwakar, Zamolo, Laura, Cavallotti, Carlo, Trout, Bernhardt L.

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 1.04 MB

english, 2011

17

Arginine and the Hofmeister Series: The Role of Ion–Ion Interactions in Protein Aggregation Suppression

Schneider, Curtiss P., Shukla, Diwakar, Trout, Bernhardt L.

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 3.18 MB

english, 2011

18

Understanding the Synergistic Effect of Arginine and Glutamic Acid Mixtures on Protein Solubility

Shukla, Diwakar, Trout, Bernhardt L.

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 4.03 MB

english, 2011

19

Modeling of Formation of Nanoparticles in Reverse Micellar Systems: Ostwald Ripening of Silver Halide Particles

Shukla, Diwakar, Joshi, Abhijeet A., Mehra, Anurag

Journal:

Year:

2009

Language:

english

File:

PDF, 183 KB

english, 2009

20

CaCO 3 nanoparticle synthesis by carbonation of lime solution in microemulsion systems

Sugih, Asaf Kleopas, Shukla, Diwakar, Heeres, H J, Mehra, Anurag

Journal:

Year:

2007

Language:

english

File:

PDF, 1.89 MB

english, 2007

21

Preferential Interaction Coefficients of Proteins in Aqueous Arginine Solutions and Their Molecular Origins

Shukla, Diwakar, Trout, Bernhardt L.

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 4.27 MB

english, 2011

22

Cloud-based simulations on Google Exacycle reveal ligand modulation of GPCR activation pathways

Kohlhoff, Kai J., Shukla, Diwakar, Lawrenz, Morgan, Bowman, Gregory R., Konerding, David E., Belov, Dan, Altman, Russ B., Pande, Vijay S.

Journal:

Nature Chemistry

Year:

2013

Language:

english

File:

PDF, 5.13 MB

english, 2013

23

A Monte Carlo Model for the Formation of Core−Shell Nanocrystals in Reverse Micellar Systems

Jain, Ravi, Shukla, Diwakar, Mehra, Anurag

Journal:

Industrial & Engineering Chemistry Research

Year:

2006

Language:

english

File:

PDF, 100 KB

english, 2006

24

Activation pathway of Src kinase reveals intermediate states as targets for drug design

Shukla, Diwakar, Meng, Yilin, Roux, Benoît, Pande, Vijay S.

Journal:

Nature Communications

Year:

2014

Language:

english

File:

PDF, 1.87 MB

english, 2014

25

Toward a Global View of the Conformational Landscape of the Human Kinome

Parton, Daniel L., Shukla, Diwakar, Zhao, Yutong, Pande, Vijay S., Chodera, John D.

Journal:

Biophysical Journal

Year:

2014

Language:

english

File:

PDF, 98 KB

english, 2014

26

Activation Pathways of Kinases Reveal Intermediate States as Novel Targets for Drug Design

Shukla, Diwakar, Roux, Benoit, Pande, Vijay S.

Journal:

Biophysical Journal

Year:

2014

Language:

english

File:

PDF, 119 KB

english, 2014

27

Investigating Ligand-Modulation of GPCR Activation Pathways

Lawrenz, Morgan, Kohlhoff, Kai, Shukla, Diwakar, Bowman, Greg, Altman, Russ, Pande, Vijay

Journal:

Biophysical Journal

Year:

2014

Language:

english

File:

PDF, 48 KB

english, 2014

28

Diversity and Convergence Issues in Evolutionary Multiobjective Optimization: Application to Agriculture Science

Yagyasen, Diwakar, Darbari, Manuj, Shukla, Praveen Kumar, Singh, Vivek Kumar

Journal:

Year:

2013

Language:

english

File:

PDF, 252 KB

english, 2013

29

Molecular Computations of Preferential Interaction Coefficients of Proteins

Shukla, Diwakar, Shinde, Chetan, Trout, Bernhardt L.

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 1.24 MB

english, 2009

30

Coagulation of Nanoparticles in Reverse Micellar Systems: A Monte Carlo Model

Jain, Ravi, Shukla, Diwakar, Mehra, Anurag

Journal:

Year:

2005

Language:

english

File:

PDF, 131 KB

english, 2005

31

Modeling Shell Formation in Core−Shell Nanocrystals in Reverse Micelle Systems

Shukla, Diwakar, Mehra, Anurag

Journal:

Year:

2006

Language:

english

File:

PDF, 183 KB

english, 2006

32

Complex Pathways in Folding of Protein G Explored by Simulation and Experiment

Lapidus, Lisa J., Acharya, Srabasti, Schwantes, Christian R., Wu, Ling, Shukla, Diwakar, King, Michael, DeCamp, Stephen J., Pande, Vijay S.

Journal:

Biophysical Journal

Year:

2014

Language:

english

File:

PDF, 1.13 MB

english, 2014

33

Automatic Selection of Order Parameters in the Analysis of Large Scale Molecular Dynamics Simulations

Sultan, Mohammad M., Kiss, Gert, Shukla, Diwakar, Pande, Vijay S.

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 2.64 MB

english, 2014

34

Conserve Water: A Method for the Analysis of Solvent in Molecular Dynamics

Harrigan, Matthew P., Shukla, Diwakar, Pande, Vijay S.

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 2.18 MB

english, 2015

35

[Methods in Enzymology] Membrane Proteins—Engineering, Purification and Crystallization Volume 557 || Elucidating Ligand-Modulated Conformational Landscape of GPCRs Using Cloud-Computing Approaches

Shukla, Diwakar

Year:

2015

Language:

english

File:

PDF, 2.30 MB

english, 2015

36

A network of molecular switches controls the activation of the two-component response regulator NtrC

Vanatta, Dan K., Shukla, Diwakar, Lawrenz, Morgan, Pande, Vijay S.

Journal:

Nature Communications

Year:

2015

Language:

english

File:

PDF, 1.12 MB

english, 2015

37

Cloud computing approaches for prediction of ligand binding poses and pathways

Lawrenz, Morgan, Shukla, Diwakar, Pande, Vijay S.

Journal:

Scientific Reports

Year:

2015

Language:

english

File:

PDF, 665 KB

english, 2015

38

Heat dissipation guides activation in signaling proteins

Weber, Jeffrey K., Shukla, Diwakar, Pande, Vijay S.

Journal:

Proceedings of the National Academy of Sciences

Year:

2015

Language:

english

File:

PDF, 1.22 MB

english, 2015

39

A model for particle coagulation in reverse micelles with a size dependent coagulation rate

Shukla, Diwakar, Mehra, Anurag

Journal:

Year:

2006

Language:

english

File:

PDF, 269 KB

english, 2006

40

Inventory model for convertible item with deterioration

Shukla, Diwakar, Khedlekar, Uttam Kumar

Journal:

Communication in Statistics- Theory and Methods

Year:

2016

Language:

english

File:

PDF, 725 KB

english, 2016

41

Markov State Models and tICA Reveal a Nonnative Folding Nucleus in Simulations of NuG2

Schwantes, Christian R., Shukla, Diwakar, Pande, Vijay S.

Journal:

Biophysical Journal

Year:

2016

Language:

english

File:

PDF, 602 KB

english, 2016

42

Transition path theory analysis of c-Src kinase activation

Meng, Yilin, Shukla, Diwakar, Pande, Vijay S., Roux, Benoît

Journal:

Proceedings of the National Academy of Sciences

Year:

2016

Language:

english

File:

PDF, 1010 KB

english, 2016

43

Nanopillars TiO2thin film photocatalyst application in the remediation of aquatic environment

Lalhriatpuia, C., Tiwari, Alka, Shukla, Alok, Tiwari, Diwakar, Lee, Seung Mok

Journal:

Korean Journal of Chemical Engineering

Year:

2016

Language:

english

File:

PDF, 1.11 MB

english, 2016

44

Satellite-based assessment of the catastrophic Jhelum floods of September 2014, Jammu & Kashmir, India

Bhatt, C. M., Rao, G. S., Farooq, M., Manjusree, P., Shukla, A., Sharma, S. V. S. P., Kulkarni, S. S., Begum, A., Bhanumurthy, V., Diwakar, P. G., Dadhwal, V. K.

Journal:

Geomatics Natural Hazards and Risk

Year:

2016

Language:

english

File:

PDF, 2.68 MB

english, 2016

45

Pricing policy for declining demand using item preservation technology

Khedlekar, Uttam Kumar, Shukla, Diwakar, Namdeo, Anubhav

Journal:

Year:

2016

Language:

english

File:

PDF, 1.25 MB

english, 2016

46

Conformational heterogeneity of the calmodulin binding interface

Shukla, Diwakar, Peck, Ariana, Pande, Vijay S.

Journal:

Nature Communications

Year:

2016

Language:

english

File:

PDF, 1.98 MB

english, 2016

47

Machine Learning Guided Ligand-Protein Simulation Approach Elucidates the Binding Mechanism of Abscisic Acid

Shukla, Saurabh, Meigooni, Moeen, Zhao, Chuankai, Shukla, Diwakar

Journal:

Biophysical Journal

Year:

2017

Language:

english

File:

PDF, 41 KB

english, 2017

48

Understanding the Conformational Diversity of Proton-Coupled Oligopeptide Transporter (POT) Family

Selvam, Balaji, Shukla, Diwakar

Journal:

Biophysical Journal

Year:

2017

Language:

english

File:

PDF, 74 KB

english, 2017

49

Optimal Probes: An Efficient Method to Select Deer Distance Restraints using Machine Learning

Mittal, Shriyaa, Shukla, Diwakar

Journal:

Biophysical Journal

Year:

2017

Language:

english

File:

PDF, 44 KB

english, 2017

50

Molecular dynamics simulations reveal the conformational dynamics of Arabidopsis thaliana BRI1 and BAK1 receptor-like kinases

Moffett, Alexander S, Bender, Kyle W, Huber, Steven C, Shukla, Diwakar

Journal:

Journal of Biological Chemistry

Year:

2017

Language:

english

File:

PDF, 4.84 MB

english, 2017