Pankaj R. Daga
Pankaj R. Daga
Sr. Scientist II, Simulations-Plus Inc. Lancaster CA
Email verificata su simulations-plus.com - Home page
Titolo
Citata da
Citata da
Anno
3D-QSAR studies on c-Src kinase inhibitors and docking analyses of a potent dual kinase inhibitor of c-Src and c-Abl kinases
R Thaimattam, PR Daga, R Banerjee, J Iqbal
Bioorganic & medicinal chemistry 13 (15), 4704-4712, 2005
712005
Synthesis and biological evaluation of 2, 3-diarylpyrazines and quinoxalines as selective COX-2 inhibitors
SK Singh, V Saibaba, V Ravikumar, SV Rudrawar, P Daga, CS Rao, ...
Bioorganic & medicinal chemistry 12 (8), 1881-1893, 2004
692004
Synthesis and SAR/3D-QSAR studies on the COX-2 inhibitory activity of 1, 5-diarylpyrazoles to validate the modified pharmacophore
SK Singh, V Saibaba, KS Rao, PG Reddy, PR Daga, SA Rajjak, P Misra, ...
European journal of medicinal chemistry 40 (10), 977-990, 2005
572005
A bifunctional nociceptin and mu opioid receptor agonist is analgesic without opioid side effects in nonhuman primates
H Ding, N Kiguchi, D Yasuda, PR Daga, WE Polgar, JJ Lu, PW Czoty, ...
Science translational medicine 10 (456), 2018
552018
Biochemical and structural consequences of a glycine deletion in the α-8 helix of protoporphyrinogen oxidase
FE Dayan, PR Daga, SO Duke, RM Lee, PJ Tranel, RJ Doerksen
Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1804 (7), 1548-1556, 2010
542010
Template-based protein modeling: recent methodological advances
PR Daga, RY Patel, RJ Doerksen
Current topics in medicinal chemistry 10 (1), 84-94, 2010
512010
Improvement of quantitative structure–activity relationship (QSAR) tools for predicting Ames mutagenicity: outcomes of the Ames/QSAR International Challenge Project
M Honma, A Kitazawa, A Cayley, RV Williams, C Barber, T Hanser, ...
Mutagenesis 34 (1), 3-16, 2019
352019
Computational model of hepatitis B virus DNA polymerase: molecular dynamics and docking to understand resistant mutations
PR Daga, J Duan, RJ Doerksen
Protein Science 19 (4), 796-807, 2010
352010
3D-QSAR CoMFA, CoMSIA studies on substituted ureas as Raf-1 kinase inhibitors and its confirmation with structure-based studies
R Thaimattam, P Daga, SA Rajjak, R Banerjee, J Iqbal
Bioorganic & medicinal chemistry 12 (24), 6415-6425, 2004
332004
Implementation of multiple-instance learning in drug activity prediction
G Fu, X Nan, H Liu, RY Patel, PR Daga, Y Chen, DE Wilkins, RJ Doerksen
BMC bioinformatics 13 (S15), S3, 2012
322012
Latrunculin with a highly oxidized thiazolidinone ring: structure assignment and actin docking
SA Ahmed, S Odde, PR Daga, JJ Bowling, MK Mesbah, DT Youssef, ...
Organic letters 9 (23), 4773-4776, 2007
312007
Glycogen synthase kinase-3 inhibition by 3-anilino-4-phenylmaleimides: insights from 3D-QSAR and docking
S Prasanna, PR Daga, A Xie, RJ Doerksen
Journal of computer-aided molecular design 23 (2), 113-127, 2009
302009
Homology modeling and molecular dynamics simulations of the active state of the nociceptin receptor reveal new insights intoagonist binding and activation
PR Daga, NT Zaveri
Proteins: Structure, Function, and Bioinformatics 80 (8), 1948-1961, 2012
282012
Combined rule extraction and feature elimination in supervised classification
S Liu, RY Patel, PR Daga, H Liu, G Fu, RJ Doerksen, Y Chen, DE Wilkins
IEEE transactions on nanobioscience 11 (3), 228-236, 2012
272012
Stereoelectronic properties of spiroquinazolinones in differential PDE7 inhibitory activity
PR Daga, RJ Doerksen
Journal of computational chemistry 29 (12), 1945-1954, 2008
232008
Structure-based virtual screening of the nociceptin receptor: Hybrid docking and shape-based approaches for improved hit identification
PR Daga, WE Polgar, NT Zaveri
Journal of Chemical Information and Modeling 54 (10), 2732-2743, 2014
202014
Physiologically based pharmacokinetic modeling in lead optimization. 1. Evaluation and adaptation of GastroPlus to predict bioavailability of Medchem series
PR Daga, MB Bolger, IS Haworth, RD Clark, EJ Martin
Molecular pharmaceutics 15 (3), 821-830, 2018
112018
Semisynthetic latrunculin B analogs: Studies of actin docking support a proposed mechanism for latrunculin bioactivity
S Kudrimoti, SA Ahmed, PR Daga, AE Wahba, SI Khalifa, RJ Doerksen, ...
Bioorganic & medicinal chemistry 17 (21), 7517-7522, 2009
102009
Multi-class joint rule extraction and feature selection for biological data
S Liu, RY Patel, PR Daga, H Liu, G Fu, R Doerksen, Y Chen, D Wilkins
2011 IEEE International Conference on Bioinformatics and Biomedicine, 476-481, 2011
72011
Physiologically based pharmacokinetic modeling in lead optimization. 2. Rational bioavailability design by global sensitivity analysis to identify properties affecting …
PR Daga, MB Bolger, IS Haworth, RD Clark, EJ Martin
Molecular pharmaceutics 15 (3), 831-839, 2018
42018
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