Publications by authors named "Neysa Nevins"

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Human rhinovirus promotes STING trafficking to replication organelles to promote viral replication.
Martha Triantafilou, Joshi Ramanjulu, Lee M Booty, Gisela Jimenez-Duran, Hakan Keles, Neysa Nevins

Nat Commun· March 2022

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Automated high throughput pK and distribution coefficient measurements of pharmaceutical compounds for the SAMPL8 blind prediction challenge.
Matthew N Bahr, Aakankschit Nandkeolyar, John K Kenna, Neysa Nevins, Luigi Da Vià

J Comput Aided Mol Des· November 2021

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Characterization of P. falciparum dipeptidyl aminopeptidase 3 specificity identifies differences in amino acid preferences between peptide-based substrates and covalent inhibitors.
Laura E de Vries, Mateo I Sanchez, Katarzyna Groborz, Laurie Kuppens, Marcin Poreba, Neysa Nevins

FEBS J· October 2019

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Author Correction: Design of amidobenzimidazole STING receptor agonists with systemic activity.
Joshi M Ramanjulu, G Scott Pesiridis, Jingsong Yang, Nestor Concha, Robert Singhaus, Neysa Nevins

Nature· June 2019

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D3R Grand Challenge 3: blind prediction of protein-ligand poses and affinity rankings.
Zied Gaieb, Conor D Parks, Michael Chiu, Huanwang Yang, Chenghua Shao, Neysa Nevins

J Comput Aided Mol Des· January 2019

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Design of amidobenzimidazole STING receptor agonists with systemic activity.
Joshi M Ramanjulu, G Scott Pesiridis, Jingsong Yang, Nestor Concha, Robert Singhaus, Neysa Nevins

Nature· December 2018

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Allosteric Wip1 phosphatase inhibition through flap-subdomain interaction.
Aidan G Gilmartin, Thomas H Faitg, Mark Richter, Arthur Groy, Mark A Seefeld, Neysa Nevins

Nat Chem Biol· March 2014

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The amino-acid substituents of dipeptide substrates of cathepsin C can determine the rate-limiting steps of catalysis.
Jon K Rubach, Guanglei Cui, Jessica L Schneck, Amy N Taylor, Baoguang Zhao, Neysa Nevins

Biochemistry· September 2012

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Druggability Assessment of Allosteric Proteins by Dynamics Simulations in the Presence of Probe Molecules.
Ahmet Bakan, Neysa Nevins, Ami S Lakdawala, Ivet Bahar

J Chem Theory Comput· July 2012

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Azepanone-based inhibitors of human cathepsin S: optimization of selectivity via the P2 substituent.
Jeffrey K Kerns, Hong Nie, William Bondinell, Katherine L Widdowson, Dennis S Yamashita, Neysa Nevins

Bioorg Med Chem Lett· August 2011

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Discovery of novel cyanamide-based inhibitors of cathepsin C.
Dramane Lainé, Michael Palovich, Brent McCleland, Emilie Petitjean, Isabelle Delhom, Neysa Nevins

ACS Med Chem Lett· February 2011

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Molecular shape and medicinal chemistry: a perspective.
Anthony Nicholls, Georgia B McGaughey, Robert P Sheridan, Andrew C Good, Gregory Warren, Neysa Nevins

J Med Chem· May 2010

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Antitumor activity of an allosteric inhibitor of centromere-associated protein-E.
Kenneth W Wood, Latesh Lad, Lusong Luo, Xiangping Qian, Steven D Knight, Neysa Nevins

Proc Natl Acad Sci U S A· March 2010

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ATP-competitive inhibitors of the mitotic kinesin KSP that function via an allosteric mechanism.
Lusong Luo, Cynthia A Parrish, Neysa Nevins, Dean E McNulty, Amita M Chaudhari

Nat Chem Biol· November 2007

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A critical assessment of docking programs and scoring functions.
Gregory L Warren, C Webster Andrews, Anna-Maria Capelli, Brian Clarke, Judith LaLonde, Neysa Nevins

J Med Chem· October 2006

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Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors.
Dennis S Yamashita, Robert W Marquis, Ren Xie, Sirishkumar D Nidamarthy, Hye-Ja Oh, Neysa Nevins

J Med Chem· March 2006

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Crossover point between dialkoxy disulfides (ROSSOR) and thionosulfites ((RO)2S=S): prediction, synthesis, and structure.
Eli Zysman-Colman, Neysa Nevins, Nicolas Eghbali, James P Snyder, David N Harpp

J Am Chem Soc· January 2006

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Calculated conformer energies for organic molecules with multiple polar functionalities are method dependent: Taxol (case study).
Ami Lakdawala, Minmin Wang, Neysa Nevins, Dennis C Liotta, Danuta Rusinska-Roszak

BMC Chem Biol· January 2001

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