B. Rai

发表

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

C. Humblet, G. Tawa, B. Rai, 2010, Proteins.

Kinase hinge binding scaffolds and their hydrogen bond patterns.

Li Xing, Elizabeth A Lunney, Jacquelyn L. Klug-McLeod, 2015, Bioorganic & medicinal chemistry.

Visible emission study in nanocrystalline Ba1-xPbxTiO3 and Sr1-xPbxTiO3 systems

A. Bhalla, R. Katiyar, J. Meng, 1997 .

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

G. Zou, R. Katiyar, J. Meng, 1997 .

Effect of grain size and Pb dopant on luminescence in BaTiO3

R. Katiyar, J. Meng, B. Rai, 1997 .

TorsionNet: A Deep Neural Network to Rapidly Predict Small-Molecule Torsional Energy Profiles with the Accuracy of Quantum Mechanics

Raymond J. Unwalla, A. Mathiowetz, G. A. Bakken, 2020, J. Chem. Inf. Model..

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

B. Rai, F. Riley, C. Orozco, 2015, Journal of chromatography. A.

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

H. D. Bist, A. Burger, R. Katiyar, 1997 .

Photoluminescence study of deep levels in Cr-doped ZnSe

Arnold Burger, Brajesh K. Rai, Ram S. Katiyar, 1999 .

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

Arnold Burger, Brajesh K. Rai, Ram S. Katiyar, 1998 .

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

Brajesh K. Rai, Alan M. Mathiowetz, Meihua Tu, 2012, J. Chem. Inf. Model..

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

H. D. Bist, A. Burger, R. Katiyar, 1996 .

Structural bioinformatics MMM : a sequence-to-structure alignment protocol

Carlos J. Madrid-Aliste, A. Fiser, J. Fajardo, 2006 .

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

A. Bhalla, R. Katiyar, J. Meng, 1997 .

PHOTOLUMINESCENCE IN PBMG1/3NB2/3O3-PBIN1/2NB1/2O3 SYSTEMS

R. Guo, A. Bhalla, Zhongyang Cheng, 1998 .

Discovery and Lead Optimization of Atropisomer D1 Agonists with Reduced Desensitization.

R. Kozak, David L. Gray, B. Rai, 2018, Journal of medicinal chemistry.

MMM: a sequence-to-structure alignment protocol

András Fiser, J. Eduardo Fajardo, Carlos J. Madrid-Aliste, 2006, Bioinform..

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

András Fiser, Brajesh K Rai, A. Fiser, 2006, Proteins.

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

Eric B Fauman, E. Fauman, Enoch S. Huang, 2011, Current opinion in chemical biology.

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

Cristiano R. W. Guimaraes, Brajesh K. Rai, Michael J. Munchhof, 2011, J. Chem. Inf. Model..

Comparative protein structure modeling by combining multiple templates and optimizing sequence-to-structure alignments

András Fiser, Narcis Fernandez-Fuentes, J. Eduardo Fajardo, 2007, Bioinform..

A note on ethno-myco-medicines from central India

B. Rai, A. Rai, S. Ayachi, 1993 .

Scaffold mining of kinase hinge binders in crystal structure database

Li Xing, Elizabeth A. Lunney, Brajesh Rai, 2013, Journal of Computer-Aided Molecular Design.

Pests of oilseed crops in India and their control.

B. Rai, 1976 .

M4T: a comparative protein structure modeling server

András Fiser, Narcis Fernandez-Fuentes, J. Eduardo Fajardo, 2007, Nucleic Acids Res..

INSECT AND MITE PESTS OF CORN AND SWEET CORN IN GUYANA

B. Rai, G. Badrie, 1969 .

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

Yongbo Hu, Brajesh K. Rai, Christine Humblet, 2009, J. Chem. Inf. Model..

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

H. D. Bist, R. Katiyar, P. K. Nair, 1997 .

Raman Scattering Study of H 2 O 2 -Etched Zn 0.1 Cd 0.9 Te Surfaces

A. Burger, R. Katiyar, Henry Chen, 1996 .

Response of winter maize (Zea mays L.)-based intercropping system under irrigated condition of Uttar Pradesh.

A. Singh, Rakesh Kumar, B. Rai, 2010 .

Low-data interpretable deep learning prediction of antibody viscosity using a biophysically meaningful representation

James R. Apgar, B. Rai, E. Bennett, 2023, Scientific Reports.

Can We Quickly Learn to "Translate" Bioactive Molecules with Transformer Models?

Anton V. Sinitskiy, Anton V Sinitskiy, B. Rai, 2023, J. Chem. Inf. Model..

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

Vishnu Sresht, Meihua Tu, Raymond J. Unwalla, 2019, J. Chem. Inf. Model..

Direct determination of the complete set of iron normal modes in a porphyrin-imidazole model for carbonmonoxy-heme proteins: [Fe(TPP)(CO)(1-MeIm)].

E. Prohofsky, B. Rai, A. Roth, 2003, Journal of the American Chemical Society.

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

E. Prohofsky, B. Rai, W. Sturhahn, 2002, Physical review. E, Statistical, nonlinear, and soft matter physics.

Iron normal mode dynamics in (nitrosyl)iron(II)tetraphenylporphyrin from X-ray nuclear resonance data.

E. Prohofsky, B. Rai, E. Alp, 2002, Biophysical journal.

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

Brajesh K. Rai, Gregory A. Bakken, G. A. Bakken, 2013, J. Comput. Chem..

Production potential of winter maize (Zea mays L.) based intercropping system.

Rakesh Kumar, B. Rai, Nivedita Singh, 2010 .

Characteristics of Pulsed Current Bead on Plate Deposit in Flux Cored GMAW Process

P. K. Ghosh, B. Rai, 1996 .

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

David C. Thompson, C. Humblet, Yongbo Hu, 2009, J. Chem. Inf. Model..

Uncertainty-aware pseudo-labeling for quantum calculations

Vishnu Sresht, B. Rai, M. Bordyuh, 2022, UAI.

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

A. Mathiowetz, S. Liras, M. Hayward, 2012, Journal of Chemical Information and Modeling.