Pande VS - Search Results

1

Discovery of novel brain permeable and G protein-biased beta-1 adrenergic receptor partial agonists for the treatment of neurocognitive disorders.

Yi B, Jahangir A, Evans AK, Briggs D, Ravina K, Ernest J, Farimani AB, Sun W, Rajadas J, Green M, Feinberg EN, Pande VS, Shamloo M. Yi B, et al. Among authors: pande vs. PLoS One. 2017 Jul 26;12(7):e0180319. doi: 10.1371/journal.pone.0180319. eCollection 2017. PLoS One. 2017. PMID: 28746336 Free PMC article.

2

Rationally designed turn promoting mutation in the amyloid-β peptide sequence stabilizes oligomers in solution.

Rajadas J, Liu CW, Novick P, Kelley NW, Inayathullah M, Lemieux MC, Pande VS. Rajadas J, et al. Among authors: pande vs. PLoS One. 2011;6(7):e21776. doi: 10.1371/journal.pone.0021776. Epub 2011 Jul 22. PLoS One. 2011. PMID: 21799748 Free PMC article.

3

Improvement in ADMET Prediction with Multitask Deep Featurization.

Feinberg EN, Joshi E, Pande VS, Cheng AC. Feinberg EN, et al. Among authors: pande vs. J Med Chem. 2020 Aug 27;63(16):8835-8848. doi: 10.1021/acs.jmedchem.9b02187. Epub 2020 May 12. J Med Chem. 2020. PMID: 32286824

4

PotentialNet for Molecular Property Prediction.

Feinberg EN, Sur D, Wu Z, Husic BE, Mai H, Li Y, Sun S, Yang J, Ramsundar B, Pande VS. Feinberg EN, et al. Among authors: pande vs. ACS Cent Sci. 2018 Nov 28;4(11):1520-1530. doi: 10.1021/acscentsci.8b00507. Epub 2018 Nov 2. ACS Cent Sci. 2018. PMID: 30555904 Free PMC article.

5

Synthesis of spiro-2,6-dioxopiperazine and spiro-2,6-dioxopyrazine scaffolds using amino acids in a three-component reaction to generate potential Sigma-1 (σ₁) receptor selective ligands.

Uprety R, Váradi A, Allaoa A, Redel-Traub GN, Palmer TC, Feinberg EN, Ferris AC, Pande VS, Pasternak GW, Majumdar S. Uprety R, et al. Among authors: pande vs. Eur J Med Chem. 2019 Feb 15;164:241-251. doi: 10.1016/j.ejmech.2018.12.048. Epub 2018 Dec 22. Eur J Med Chem. 2019. PMID: 30597325 Free PMC article.

6

MoleculeNet: a benchmark for molecular machine learning.

Wu Z, Ramsundar B, Feinberg EN, Gomes J, Geniesse C, Pappu AS, Leswing K, Pande V. Wu Z, et al. Chem Sci. 2017 Oct 31;9(2):513-530. doi: 10.1039/c7sc02664a. eCollection 2018 Jan 14. Chem Sci. 2017. PMID: 29629118 Free PMC article.

7

Inferring the rate-length law of protein folding.

Lane TJ, Pande VS. Lane TJ, et al. Among authors: pande vs. PLoS One. 2013 Dec 5;8(12):e78606. doi: 10.1371/journal.pone.0078606. eCollection 2013. PLoS One. 2013. PMID: 24339865 Free PMC article.

8

The dynamic conformational cycle of the group I chaperonin C-termini revealed via molecular dynamics simulation.

Dalton KM, Frydman J, Pande VS. Dalton KM, et al. Among authors: pande vs. PLoS One. 2015 Mar 30;10(3):e0117724. doi: 10.1371/journal.pone.0117724. eCollection 2015. PLoS One. 2015. PMID: 25822285 Free PMC article.

9

Design of β-amyloid aggregation inhibitors from a predicted structural motif.

Novick PA, Lopes DH, Branson KM, Esteras-Chopo A, Graef IA, Bitan G, Pande VS. Novick PA, et al. Among authors: pande vs. J Med Chem. 2012 Apr 12;55(7):3002-10. doi: 10.1021/jm201332p. Epub 2012 Mar 15. J Med Chem. 2012. PMID: 22420626 Free PMC article.

10

SWEETLEAD: an in silico database of approved drugs, regulated chemicals, and herbal isolates for computer-aided drug discovery.

Novick PA, Ortiz OF, Poelman J, Abdulhay AY, Pande VS. Novick PA, et al. Among authors: pande vs. PLoS One. 2013 Nov 1;8(11):e79568. doi: 10.1371/journal.pone.0079568. eCollection 2013. PLoS One. 2013. PMID: 24223973 Free PMC article.

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