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1

Comparison of Several Molecular Docking Programs: Pose Prediction and Virtual Screening Accuracy

Cross, Jason B., Thompson, David C., Rai, Brajesh K., Baber, J. Christian, Fan, Kristi Yi, Hu, Yongbo, Humblet, Christine

Journal:

Journal of Chemical Information and Modeling

Year:

2009

Language:

english

File:

PDF, 9.86 MB

english, 2009

2

Structure-based druggability assessment — identifying suitable targets for small molecule therapeutics

Eric B Fauman, Brajesh K Rai, Enoch S Huang

Journal:

Current Opinion in Chemical Biology

Year:

2011

Language:

english

File:

PDF, 267 KB

english, 2011

3

A note on ethno-myco-medicines from central India

Brajesh Kumar Rai, Shiv Shanker Ayachi, Arvinder Rai

Journal:

Year:

1993

Language:

english

File:

PDF, 231 KB

english, 1993

4

Scaffold mining of kinase hinge binders in crystal structure database

Xing, Li, Rai, Brajesh, Lunney, Elizabeth A.

Journal:

Journal of Computer-Aided Molecular Design

Year:

2014

Language:

english

File:

PDF, 1.61 MB

english, 2014

5

Parameter window of diamond growth on GaN films by microwave plasma chemical vapor deposition

Mohapatra, Dipti Ranjan, Rai, Padmnabh, Misra, Abha, Tyagi, Pawan K., Yadav, Brajesh S., Misra, D.S.

Journal:

Diamond and Related Materials

Year:

2008

Language:

english

File:

PDF, 833 KB

english, 2008

6

Fluorescence spectra of some triply ionized rare earths in calibo and silicate glasses

Brajesh Sharma, J. Vipin Prasad, S.B. Rai, D.K. Rai

Journal:

Solid State Communications

Year:

1995

Language:

english

File:

PDF, 505 KB

english, 1995

7

Study of visible emission and phase transition in nanocrystalline A1−xA′xTiO3 systems

J.F. Meng, Brajesh K. Rai, Ram S. Katiyar, G.T. Zou

Journal:

Physics Letters A

Year:

1997

Language:

english

File:

PDF, 445 KB

english, 1997

8

Multiple mapping method: A novel approach to the sequence-to-structure alignment problem in comparative protein structure modeling

Brajesh K. Rai, András Fiser

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2006

Language:

english

File:

PDF, 689 KB

english, 2006

9

Modeling G protein-coupled receptors for structure-based drug discovery using low-frequency normal modes for refinement of homology models: Application to H3 antagonists

Brajesh K. Rai, Gregory J. Tawa, Alan H. Katz, Christine Humblet

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2010

Language:

english

File:

PDF, 591 KB

english, 2010

10

Stark splitting and energy transfer between Dy3+-Ho3+and between Tb3+-Er3+in calcium-lithium borate glass

Brajesh Sharma, V B Singh, D K Rai, S B Rai

Journal:

Year:

1998

Language:

english

File:

PDF, 539 KB

english, 1998

11

Raman investigation on (Ta2O5)1−x(TiO2)x system at different temperatures and pressures

J.F. Meng, Brajesh K. Rai, R.S. Katiyar, A.S. Bhalla

Journal:

Journal of Physics and Chemistry of Solids

Year:

1997

Language:

english

File:

PDF, 386 KB

english, 1997

12

Understanding the Impact of the P-loop Conformation on Kinase Selectivity

Guimarães, Cristiano R. W., Rai, Brajesh K., Munchhof, Michael J., Liu, Shenping, Wang, Jian, Bhattacharya, Samit K., Buckbinder, Leonard

Journal:

Journal of Chemical Information and Modeling

Year:

2011

Language:

english

File:

PDF, 853 KB

english, 2011

13

Iron Normal Mode Dynamics in (Nitrosyl)iron(II)tetraphenylporphyrin from X-ray Nuclear Resonance Data

Rai, Brajesh K., Durbin, Stephen M., Prohofsky, Earl W., Sage, J. Timothy, Wyllie, Graeme R.A., Scheidt, W. Robert, Sturhahn, Wolfgang, Alp, E. Ercan

Journal:

Biophysical Journal

Year:

2002

Language:

english

File:

PDF, 514 KB

english, 2002

14

Exploring Aromatic Chemical Space with NEAT: Novel and Electronically Equivalent Aromatic Template

Tu, Meihua, Rai, Brajesh K., Mathiowetz, Alan M., Didiuk, Mary, Pfefferkorn, Jeffrey A., Guzman-Perez, Angel, Benbow, John, Guimarães, Cristiano R. W., Mente, Scot, Hayward, Matthew M., Liras, Spiros

Journal:

Journal of Chemical Information and Modeling

Year:

2012

Language:

english

File:

PDF, 526 KB

english, 2012

15

Raman and photoluminescence studies on intrinsic and Cr-doped ZnSe single crystals

Rai, Brajesh K., Katiyar, R. S., Chen, K.-T., Burger, A.

Journal:

Journal of Applied Physics

Year:

1998

Language:

english

File:

PDF, 380 KB

english, 1998

16

Controlled micro oxidation of CdTe surface by laser irradiation: A micro-spectroscopic study

Rai, Brajesh K., Bist, H. D., Katiyar, R. S., Chen, K.-T., Burger, A.

Journal:

Journal of Applied Physics

Year:

1996

Language:

english

File:

PDF, 385 KB

english, 1996

17

Hexagonal diamond synthesis on h-GaN strained films

Misra, Abha, Tyagi, Pawan K., Yadav, Brajesh S., Rai, P., Misra, D. S., Pancholi, Vivek, Samajdar, I. D.

Journal:

Applied Physics Letters

Year:

2006

Language:

english

File:

PDF, 580 KB

english, 2006

18

Fast and accurate generation of ab initio quality atomic charges using nonparametric statistical regression

Rai, Brajesh K., Bakken, Gregory A.

Journal:

Journal of Computational Chemistry

Year:

2013

Language:

english

File:

PDF, 739 KB

english, 2013

19

Visible emission study in nanocrystalline Ba 1−x Pb x TiO 3 and Sr 1−x Pb x TiO 3 systems

Meng, J. F., Rai, Brajesh K., Katiyar, Ram S., Bhalla, A. S.

Journal:

Ferroelectrics Letters Section

Year:

1997

Language:

english

File:

PDF, 410 KB

english, 1997

20

Single-Atom Test of All-Atom Empirical Potentials: Fe in Myoglobin

Rai, Brajesh K., Prohofsky, Earl W., Durbin, Stephen M.

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 62 KB

english, 2005

21

Direct Determination of the Complete Set of Iron Normal Modes in a Porphyrin-Imidazole Model for Carbonmonoxy-heme Proteins: [Fe(TPP)(CO)(1-MeIm)]

Rai, Brajesh K., Durbin, Stephen M., Prohofsky, Earl W., Sage, J. Timothy, Ellison, Mary K., Roth, Arne, Scheidt, W. Robert, Sturhahn, Wolfgang, Alp, E. Ercan

Journal:

Journal of the American Chemical Society

Year:

2003

Language:

english

File:

PDF, 269 KB

english, 2003

22

Iron normal mode dynamics in a porphyrin-imidazole model for deoxyheme proteins

Rai, Brajesh K., Durbin, Stephen M., Prohofsky, Earl W., Timothy Sage, J., Ellison, Mary K., Robert Scheidt, W., Sturhahn, Wolfgang, Ercan Alp, E.

Journal:

Physical Review E

Year:

2002

Language:

english

File:

PDF, 544 KB

english, 2002

23

Simultaneous observation of strong and weak quantum confinement effect in chemically deposited CdSe thin films: A spectro-structural study

Rai, Brajesh K., Bist, H. D., Katiyar, R. S., Nair, M. T. S., Nair, P. K., Mannivannan, A.

Journal:

Journal of Applied Physics

Year:

1997

Language:

english

File:

PDF, 575 KB

english, 1997

24

Photoluminescence in PbMg1/3Nb2/3O3–PbIn1/2Nb1/2O3 systems

Meng, J. F., Cheng, Z-Y., Rai, Brajesh K., Katiyar, R. S., Alberta, E., Guo, R., Bhalla, A. S.

Journal:

Journal of Materials Research

Year:

1998

Language:

english

File:

PDF, 165 KB

english, 1998

25

Chromatographic resolution of atropisomers for toxicity and biotransformation studies in pharmaceutical research

Yan, Tony Qi, Riley, Frank, Philippe, Laurence, Davoren, Jennifier, Cox, Loretta, Orozco, Christine, Rai, Brajesh, Hardink, Mark

Journal:

Journal of Chromatography A

Year:

2015

Language:

english

File:

PDF, 3.29 MB

english, 2015

26

Thermally aware performance analysis of single-walled carbon nanotube bundle as VLSI interconnects

Rai, Mayank Kumar, Kaushik, Brajesh Kumar, Sarkar, Sankar

Journal:

Journal of Computational Electronics

Year:

2016

Language:

english

File:

PDF, 1.49 MB

english, 2016

27

Raman Scattering Study of H2O2-Etched Zn0.1Cd0.9Te Surfaces

Rai, Brajesh K., Katiyar, R. S., Chen, K. -T., Chen, H., Burger, A.

Journal:

MRS Proceedings

Year:

1996

Language:

english

File:

PDF, 367 KB

english, 1996

28

Raman and Photo-Luminescence Studies on Intrinsic and Cr-Doped Znse Single Crystals

Rai, Brajesh K., Bhaskar, S., Bist, H. D., Katiyar, R. S., Chen, K.-T., Burger, A.

Journal:

MRS Proceedings

Year:

1997

Language:

english

File:

PDF, 384 KB

english, 1997

29

Raman And Photo-Luminescence Studies On Intrinsic And Cr-Doped Znse Single Crystals

Rai, Brajesh K., Bhaskar, S., Bist, H. D., Katiyar, R. S., Chen, K.-T., Burger, A.

Journal:

MRS Proceedings

Year:

1997

Language:

english

File:

PDF, 362 KB

english, 1997

30

Microarray analyses during early stage of the tomato/Alternaria solani interaction

Upadhyay, Priti, Rai, Ashutosh, Kumar, Rajesh, Singh, Major, Sinha, Brajesh

Journal:

Year:

2015

Language:

english

File:

PDF, 253 KB

english, 2015

31

Identification of transcription factors in tomato, potentially related to early blight resistance at invasion in host tissue, using microarray expression profiling

Upadhyay, Priti, Ganie, Showkat Hussain, Rai, Ashutosh, Singh, Major, Sinha, Brajesh

Journal:

South African Journal of Botany

Year:

2016

Language:

english

File:

PDF, 1.73 MB

english, 2016

32

Comprehensive Assessment of Torsional Strain in Crystal Structures of Small Molecules and Protein-ligand Complexes using ab initio Calculations

Rai, Brajesh Kumar, Sresht, Vishnu, Yang, Qingyi, Unwalla, Ray, Tu, Meihua, Mathiowetz, Alan M, Bakken, Gregory A

Journal:

Journal of Chemical Information and Modeling

Year:

2019

Language:

english

File:

PDF, 958 KB

english, 2019

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