G.M. Singharoy: search on Z-Library

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1

Computational Methodologies for Real-Space Structural Refinement of Large Macromolecular Complexes

Goh, Boon Chong, Hadden, Jodi A., Bernardi, Rafael C., Singharoy, Abhishek, McGreevy, Ryan, Rudack, Till, Cassidy, C. Keith, Schulten, Klaus

Journal:

Annual Review of Biophysics

Year:

2016

Language:

english

File:

PDF, 4.97 MB

english, 2016

2

Atoms to Phenotypes: Molecular Design Principles of Cellular Energy Metabolism

Singharoy, Abhishek, Maffeo, Christopher, Delgado-Magnero, Karelia H., Swainsbury, David J.K., Sener, Melih, Kleinekathöfer, Ulrich, Vant, John W., Nguyen, Jonathan, Hitchcock, Andrew, Isralewitz, Bar

Journal:

Year:

2019

Language:

english

File:

PDF, 11.06 MB

english, 2019

3

Reclaiming of ground rubber tire by a novel reclaiming agent. I. virgin natural rubber/reclaimed GRT vulcanizates

Debapriya De, Debasish De, G.M. Singharoy

Journal:

Polymer Engineering & Science

Year:

2007

Language:

english

File:

PDF, 452 KB

english, 2007

4

Quasiperiodic oscillation and possible Second Law violation in a nanosystem

Quick, R., Singharoy, A., Ortoleva, P.

Journal:

Chemical Physics Letters

Year:

2013

Language:

english

File:

PDF, 1.08 MB

english, 2013

5

Chemomechanical Coupling in Hexameric Protein–Protein Interfaces Harnesses Energy within V-Type ATPases

Singharoy, Abhishek, Chipot, Christophe, Moradi, Mahmoud, Schulten, Klaus

Journal:

Journal of the American Chemical Society

Year:

2017

Language:

english

File:

PDF, 19.35 MB

english, 2017

6

Overall energy conversion efficiency of a photosynthetic vesicle

Sener, Melih, Strumpfer, Johan, Singharoy, Abhishek, Hunter, C Neil, Schulten, Klaus

Journal:

Year:

2016

Language:

english

File:

PDF, 2.59 MB

english, 2016

7

Identity and Its Transformative Dynamics in Knowledge Era: Some Critical Reflections

SinghaRoy, Debal K.

Journal:

Contemporary Education Dialogue

Year:

2019

Language:

english

File:

PDF, 655 KB

english, 2019

8

Mechanical behaviour of fire-exposed fibre-reinforced sustainable concrete

Sahani, Ashok Kumar, Samanta, Amiya K., Singharoy, Dilip K.

Journal:

Journal of Structural Fire Engineering

Year:

2019

File:

PDF, 3.92 MB

2019

9

Bone cell–materials interaction on alumina ceramics with different grain sizes

Abhijit Chanda, Rajdeep SinghaRoy, Weichung Xue, Susmita Bose, Amit Bandyopadhyay

Journal:

Materials Science and Engineering: C

Year:

2009

Language:

english

File:

PDF, 636 KB

english, 2009

10

Multiscale simulation of microbe structure and dynamics

Harshad Joshi, Abhishek Singharoy, Yuriy V. Sereda, Srinath C. Cheluvaraja, Peter J. Ortoleva

Journal:

Progress in Biophysics and Molecular Biology

Year:

2011

Language:

english

File:

PDF, 1.90 MB

english, 2011

11

Azithromycin in the treatment of cholera in children

MK Bhattacharya, D Dutta, T Ramamurthy, D Sarkar, A Singharoy, SK Bhattacharya

Journal:

Acta Paediatrica

Year:

2003

Language:

english

File:

PDF, 67 KB

english, 2003

12

Multiscale Macromolecular Simulation: Role of Evolving Ensembles

Singharoy, A., Joshi, H., Ortoleva, P. J.

Journal:

Journal of Chemical Information and Modeling

Year:

2012

Language:

english

File:

PDF, 3.11 MB

english, 2012

13

Discovering Free Energy Basins for Macromolecular Systems via Guided Multiscale Simulation

Sereda, Yuriy V., Singharoy, Abhishek B., Jarrold, Martin F., Ortoleva, Peter J.

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 4.96 MB

english, 2012

14

Epitope engineering and molecular metrics of immunogenicity: A computational approach to VLP-based vaccine design

Joshi, Harshad, Lewis, Kristen, Singharoy, Abhishek, Ortoleva, Peter J.

Journal:

Year:

2013

Language:

english

File:

PDF, 1.02 MB

english, 2013

15

Structural mechanism of voltage-dependent gating in an isolated voltage-sensing domain

Li, Qufei, Wanderling, Sherry, Paduch, Marcin, Medovoy, David, Singharoy, Abhishek, McGreevy, Ryan, Villalba-Galea, Carlos A, Hulse, Raymond E, Roux, Benoît, Schulten, Klaus, Kossiakoff, Anthony, Pero

Journal:

Nature Structural and Molecular Biology

Year:

2014

Language:

english

File:

PDF, 1.39 MB

english, 2014

16

xMDFF: Molecular Dynamics Flexible Fitting of Low-Resolution X-Ray Structures

Singharoy, Abhishek, McGreevy, Ryan, Li, Qufei, Zhang, Jingfen, Perozo, Eduardo, Schulten, Klaus

Journal:

Biophysical Journal

Year:

2014

Language:

english

File:

PDF, 85 KB

english, 2014

17

Order Parameters for Multiscale Simulation of Bio-Nanosystems

Singharoy, Abhishek, Ortoleva, Peter

Journal:

Biophysical Journal

Year:

2011

Language:

english

File:

PDF, 57 KB

english, 2011

18

Space Warping Order Parameters and Symmetry: Application to Multiscale Simulation of Macromolecular Assemblies

Singharoy, Abhishek, Joshi, Harshad, Miao, Yinglong, Ortoleva, Peter J.

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 3.91 MB

english, 2012

19

Hierarchical Order Parameters for Macromolecular Assembly Simulations. 1. Construction and Dynamical Properties of Order Parameters

Singharoy, Abhishek, Sereda, Yuriy, Ortoleva, Peter J.

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 4.40 MB

english, 2012

20

Epitope Fluctuations in the Human Papillomavirus Are Under Dynamic Allosteric Control: A Computational Evaluation of a New Vaccine Design Strategy

Singharoy, Abhishek, Polavarapu, Abhigna, Joshi, Harshad, Baik, Mu-Hyun, Ortoleva, Peter

Journal:

Journal of the American Chemical Society

Year:

2013

Language:

english

File:

PDF, 1.29 MB

english, 2013

21

xMDFF: molecular dynamics flexible fitting of low-resolution X-ray structures

McGreevy, Ryan, Singharoy, Abhishek, Li, Qufei, Zhang, Jingfen, Xu, Dong, Perozo, Eduardo, Schulten, Klaus

Journal:

Acta Crystallographica Section D Biological Crystallography

Year:

2014

Language:

english

File:

PDF, 1.71 MB

english, 2014

22

An efficient, Schiff-base derivative for selective fluorescence sensing of Zn 2+ ions: quantum chemical calculation appended by real sample application and cell imaging study

Chall, Sayantani, Mati, Soumya Sundar, Konar, Saugata, Singharoy, Dipti, Bhattacharya, Subhash Chandra

Journal:

Organic & Biomolecular Chemistry

Year:

2014

Language:

english

File:

PDF, 5.62 MB

english, 2014

23

Quasiequivalence of multiscale coevolution and ensemble MD simulations: A demonstration with lactoferrin

Yang, J., Singharoy, A., Sereda, Yu.V., Ortoleva, P.J.

Journal:

Chemical Physics Letters

Year:

2014

Language:

english

File:

PDF, 2.09 MB

english, 2014

24

Hierarchical multiscale modeling of macromolecules and their assemblies

Ortoleva, P., Singharoy, A., Pankavich, S.

Journal:

Year:

2013

Language:

english

File:

PDF, 1021 KB

english, 2013

25

Multiscale analytic continuation approach to nanosystem simulation: Applications to virus electrostatics

Singharoy, Abhishek, Yesnik, Anastasia M., Ortoleva, Peter

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 3.12 MB

english, 2010

26

Micellar charge induced emissive response of a bio-active 3-pyrazolyl-2-pyrazoline derivative: a spectroscopic and quantum chemical analysis

Sarkar, Arindam, Rakshit, Soumyadipta, Chall, Sayantani, Mati, Soumya Sundar, Singharoy, Dipti, Bañuelos, Jorge, López Arbeloa, Iñigo, Bhattacharya, Subhash Chandra

Journal:

Year:

2014

Language:

english

File:

PDF, 1.06 MB

english, 2014

27

SPIE Proceedings [SPIE SPIE Smart Structures and Materials + Nondestructive Evaluation and Health Monitoring - San Diego, CA (Sunday 7 March 2010)] Nanosensors, Biosensors, and Info-Tech Sensors and Systems 2010 - Simple theoretical analysis of the thermoelectric power under strong magnetic quantization in superlattices of non-parabolic semiconductors with graded interfaces

Singharoy, Subhamoy R., Varadan, Vijay K.

Year:

2010

Language:

english

File:

PDF, 602 KB

english, 2010

28

New Perspectives on Quinol Binding Motifs at the bc1 Complex Based on MD Simulations

Barragan, Angela M., Singharoy, Abhishek, Crofts, Anthony R., Schulten, Klaus, Solov’yov, Ilia A.

Journal:

Biophysical Journal

Year:

2015

Language:

english

File:

PDF, 68 KB

english, 2015

29

Harvesting the free fibular graft: A modified approach

Pal, AnandaKisor, Singharoy, Debashis, Baksi, Debadyuti, Nath, Chinmoy, Mukherjee, AmitavaNarayan

Journal:

Indian Journal of Orthopaedics

Year:

2011

Language:

english

File:

PDF, 1.82 MB

english, 2011

30

Macromolecular Crystallography for Synthetic Abiological Molecules: Combining xMDFF and PHENIX for Structure Determination of Cyanostar Macrocycles

Singharoy, Abhishek, Venkatakrishnan, Balasubramanian, Liu, Yun, Mayne, Christopher G., Lee, Semin, Chen, Chun-Hsing, Zlotnick, Adam, Schulten, Klaus, Flood, Amar H.

Journal:

Journal of the American Chemical Society

Year:

2015

Language:

english

File:

PDF, 3.92 MB

english, 2015

31

Order parameters for macromolecules: Application to multiscale simulation

Singharoy, A., Cheluvaraja, S., Ortoleva, P.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.37 MB

english, 2011

32

Tribal Peasantry in West Bengal : Development, Domination, Dependency and Alternative

Debal K. Singharoy

Journal:

Indian Anthropologist

Year:

2004

Language:

english

File:

PDF, 1.34 MB

english, 2004

33

Atomic Detail Visualization of Photosynthetic Membranes with GPU-Accelerated Ray Tracing

Stone, John E., Sener, Melih, Vandivort, Kirby L., Barragan, Angela, Singharoy, Abhishek, Teo, Ivan, Ribeiro, João V., Isralewitz, Barry, Liu, Bo, Goh, Boon Chong, Phillips, James C., MacGregor-Chatwi

Journal:

Parallel Computing

Year:

2015

Language:

english

File:

PDF, 882 KB

english, 2015

34

Correlation of FRET efficiency with conformational changes of proteins in ionic and nonionic surfactant environment

Singharoy, Dipti, Mati, Soumya Sundar, Rakshit, Soumyadipta, Chall, Sayantani, Bhattacharya, Subhash Chandra

Journal:

Journal of Molecular Liquids

Year:

2016

Language:

english

File:

PDF, 1.67 MB

english, 2016

35

Advances in the molecular dynamics flexible fitting method for cryo-EM modeling

McGreevy, Ryan, Teo, Ivan, Singharoy, Abhishek, Schulten, Klaus

Journal:

Year:

2016

Language:

english

File:

PDF, 1.84 MB

english, 2016

36

The Do's and Do Not's of a 100 Million Atom Molecular Dynamics Simulation

Singharoy, Abhishek, Chandler, Danielle, Durrant, Jacob, Sener, Melih, Amaro, Rommie, Schulten, Klaus

Journal:

Biophysical Journal

Year:

2015

Language:

english

File:

PDF, 43 KB

english, 2015

37

Flexibility Coexists with Shape-persistence in Cyanostar Macrocycles

Liu, Yun, Singharoy, Abhishek, Mayne, Christopher G., Sengupta, Arkajyoti, Raghavachari, Krishnan, Schulten, Klaus, Flood, Amar H

Journal:

Journal of the American Chemical Society

Year:

2016

Language:

english

File:

PDF, 1.71 MB

english, 2016

38

A Structural Model of the Ribosome-Bound Protein Insertase YidC Reveals Lateral Translocation of the Nascent Chain

Singharoy, Abhishek, Wickles, Stephan, Beckmann, Roland, Schulten, Klaus

Journal:

Biophysical Journal

Year:

2015

Language:

english

File:

PDF, 40 KB

english, 2015

39

Towards the Simulation of a Complete ATP Synthase: Unravelling the Structural Basis of the Enzyme's Reversible Action

Singharoy, Abhishek, Schulten, Klaus

Journal:

Biophysical Journal

Year:

2015

Language:

english

File:

PDF, 39 KB

english, 2015

40

Allosteric Regulation Mechanism of Trimeric Membrane

Wang, Yuhang, Singharoy, Abhi, Schulten, Klaus, Tajkhorshid, Emad

Journal:

Biophysical Journal

Year:

2016

Language:

english

File:

PDF, 38 KB

english, 2016

41

Inclusion of ph Effects in Molecular Dynamics Simulations of Membranes and Membrane Proteins

Radak, Brian K., Singharoy, Abhishek, Schulten, Klaus, Roux, Benoit

Journal:

Biophysical Journal

Year:

2016

Language:

english

File:

PDF, 40 KB

english, 2016

42

Structure and Function of YidC, an Insertase that Channels Newly Synthesized Proteins into the Cell Membrane

Shahoei, Rezvan, Trebesch, Noah, Singharoy, Abhi, Schulten, Klaus

Journal:

Biophysical Journal

Year:

2016

Language:

english

File:

PDF, 42 KB

english, 2016

43

Drude Polarizable Force Field for Modeling Divalent Cations in Biological Systems

Li, Hui, Singharoy, Abhi, Roux, Benoit, MacKerell, Alexander

Journal:

Biophysical Journal

Year:

2016

Language:

english

File:

PDF, 41 KB

english, 2016

44

Applicability of doctrine of equivalent and prosecution history estoppels in Indian patent system

Bandyopadhyay, Tapas, Singharoy, Tuhin

Journal:

International Journal of Intellectual Property Management

Year:

2012

Language:

english

File:

PDF, 157 KB

english, 2012

45

Binding Site Recognition and Docking Dynamics of a Single Electron Transport Protein: Cytochrome c 2

Singharoy, Abhishek, Barragan, Angela M., Thangapandian, Sundarapandian, Tajkhorshid, Emad, Schulten, Klaus

Journal:

Journal of the American Chemical Society

Year:

2016

Language:

english

File:

PDF, 2.68 MB

english, 2016

46

Conserved methionine dictates substrate preference in Nramp-family divalent metal transporters

Bozzi, Aaron T., Bane, Lukas B., Weihofen, Wilhelm A., McCabe, Anne L., Singharoy, Abhishek, Chipot, Christophe J., Schulten, Klaus, Gaudet, Rachelle

Journal:

Proceedings of the National Academy of Sciences

Year:

2016

Language:

english

File:

PDF, 1.02 MB

english, 2016

47

Crystal Structure and Conformational Change Mechanism of a Bacterial Nramp-Family Divalent Metal Transporter

Bozzi, Aaron T., Bane, Lukas B., Weihofen, Wilhelm A., Singharoy, Abhishek, Guillen, Eduardo R., Ploegh, Hidde L., Schulten, Klaus, Gaudet, Rachelle

Journal:

Year:

2016

Language:

english

File:

PDF, 3.08 MB

english, 2016

48

Methodology for the Simulation of Molecular Motors at Different Scales

Singharoy, Abhishek, Chipot, Christophe

Journal:

Journal of Physical Chemistry B

Year:

2016

Language:

english

File:

PDF, 3.19 MB

english, 2016

49

CHARMM-GUI MDFF/xMDFF Utilizer for Molecular Dynamics Flexible Fitting Simulations in Various Environments

Qi, Yifei, Lee, Jumin, Singharoy, Abhishek, McGreevy, Ryan, Schulten, Klaus, Im, Wonpil

Journal:

Journal of Physical Chemistry B

Year:

2017

Language:

english

File:

PDF, 1.14 MB

english, 2017

50

Atom-Resolved View of a Cell Organelle on a Computational Microscope

Singharoy, Abhishek, Schulten, Klaus

Journal:

Biophysical Journal

Year:

2017

Language:

english

File:

PDF, 47 KB

english, 2017