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Suman Sirimulla, Ph.D. - Publications

Affiliations: 
Chemistry The University of Texas at El Paso 
Area:
experimental chemistry
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8 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Fratev F, Gutierrez DA, Aguilera RJ, Tyagi A, Damodaran C, Sirimulla S. Discovery of New AKT1 Inhibitors by Combination of Structure Based Virtual Screening Approaches and Biological Evaluations. Journal of Biomolecular Structure & Dynamics. 1-11. PMID 31933423 DOI: 10.1080/07391102.2020.1715835  0.372
2019 Fratev F, Miranda-Arango M, Lopez AB, Padilla E, Sirimulla S. Discovery of GlyT2 Inhibitors Using Structure-Based Pharmacophore Screening and Selectivity Studies by FEP+ Calculations. Acs Medicinal Chemistry Letters. 10: 904-910. PMID 31223446 DOI: 10.1021/Acsmedchemlett.9B00003  0.368
2017 Mendez L, Henriquez G, Sirimulla S, Narayan M. Looking Back, Looking Forward at Halogen Bonding in Drug Discovery. Molecules (Basel, Switzerland). 22. PMID 28837116 DOI: 10.3390/Molecules22091397  0.318
2016 Koebel MR, Cooper A, Schmadeke G, Jeon S, Narayan M, Sirimulla S. S···O and S···N Sulfur Bonding Interactions in Protein-Ligand Complexes: Empirical Considerations and Scoring Function. Journal of Chemical Information and Modeling. PMID 27936771 DOI: 10.1021/Acs.Jcim.6B00236  0.325
2013 Sirimulla S, Bailey JB, Vegesna R, Narayan M. Halogen interactions in protein-ligand complexes: Implications of halogen bonding for rational drug design Journal of Chemical Information and Modeling. 53: 2781-2791. PMID 24134121 DOI: 10.1021/Ci400257K  0.31
2012 Sirimulla S, Pal R, Raparla M, Bailey JB, Duran R, Altamirano AM, Herndon WC, Narayan M. Identification of Novel Nitrosative Stress Inhibitors through Virtual Screening and Experimental Evaluation. Molecular Informatics. 31: 167-72. PMID 27476961 DOI: 10.1002/Minf.201100044  0.499
2012 Sirimulla S, Pal R, Raparla M, Bailey JB, Duran R, Altamirano AM, Herndon WC, Narayan M. Identification of novel nitrosative stress inhibitors through virtual screening and experimental evaluation Molecular Informatics. 31: 167-172. DOI: 10.1002/minf.201100044  0.463
2010 Sirimulla S, Lerma M, Herndon WC. Prediction of partial molar volumes of amino acids and small peptides: Counting atoms versus topological indices Journal of Chemical Information and Modeling. 50: 194-204. PMID 20058884 DOI: 10.1021/Ci900318C  0.466
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