Publications by authors named "Eric Manas"

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GRAM: A True Null Model for Relative Binding Affinity Predictions.
Guanglei Cui, Alan P Graves, Eric S Manas

J Chem Inf Model· January 2020

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Modeling the value of predictive affinity scoring in preclinical drug discovery.
Robert Abel, Eric S Manas, Richard A Friesner, Ramy S Farid, Lingle Wang

Curr Opin Struct Biol· October 2018

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Chemoselective One-Pot Synthesis of Functionalized Amino-azaheterocycles Enabled by COware.
Thomas A Clohessy, Alastair Roberts, Eric S Manas, Vipulkumar K Patel, Niall A Anderson

Org Lett· December 2017

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A Perspective on Water Site Prediction Methods for Structure Based Drug Design.
Alan P Graves, Ian D Wall, Colin M Edge, James M Woolven, Guanglei Cui, Eric S Manas

Curr Top Med Chem· September 2017

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CADD medicine: design is the potion that can cure my disease.
Eric S Manas, Darren V S Green

J Comput Aided Mol Des· March 2017

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Investigation of a Bicyclo[1.1.1]pentane as a Phenyl Replacement within an LpPLA Inhibitor.
Nicholas D Measom, Kenneth D Down, David J Hirst, Craig Jamieson, Eric S Manas

ACS Med Chem Lett· January 2017

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Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA).
Alison J-A Woolford, Philip J Day, Véronique Bénéton, Valerio Berdini, Joseph E Coyle, Eric S Manas

J Med Chem· December 2016

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Collaborating to improve the use of free-energy and other quantitative methods in drug discovery.
Bradley Sherborne, Veerabahu Shanmugasundaram, Alan C Cheng, Clara D Christ, Renee L DesJarlais, Eric S Manas

J Comput Aided Mol Des· December 2016

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Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.
Alison J-A Woolford, Joseph E Pero, Sridhar Aravapalli, Valerio Berdini, Joseph E Coyle, Eric S Manas

J Med Chem· June 2016

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SPAM: A Simple Approach for Profiling Bound Water Molecules.
Guanglei Cui, Jason M Swails, Eric S Manas

J Chem Theory Comput· December 2013

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Novel pyrrolyl 2-aminopyridines as potent and selective human beta-secretase (BACE1) inhibitors.
Michael S Malamas, Keith Barnes, Yu Hui, Matthew Johnson, Frank Lovering, Eric S Manas

Bioorg Med Chem Lett· April 2010

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Discovery and initial optimization of 5,5'-disubstituted aminohydantoins as potent beta-secretase (BACE1) inhibitors.
Pawel Nowak, Derek C Cole, Ann Aulabaugh, Jonathan Bard, Rajiv Chopra, Eric S Manas

Bioorg Med Chem Lett· January 2010

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Dual acting norepinephrine reuptake inhibitors and 5-HT(2A) receptor antagonists: Identification, synthesis and activity of novel 4-aminoethyl-3-(phenylsulfonyl)-1H-indoles.
Gavin D Heffernan, Richard D Coghlan, Eric S Manas, Robert E McDevitt, Yanfang Li

Bioorg Med Chem· November 2009

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Discovery of a new series of monoamine reuptake inhibitors, the 1-amino-3-(1H-indol-1-yl)-3-phenylpropan-2-ols.
Callain Y Kim, Paige E Mahaney, Oliver McConnell, Yingru Zhang, Eric Manas

Bioorg Med Chem Lett· September 2009

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Discovery of potent, selective sulfonylfuran urea endothelial lipase inhibitors.
Krista B Goodman, Michael J Bury, Mui Cheung, Maria A Cichy-Knight, Sarah E Dowdell, Eric S Manas

Bioorg Med Chem Lett· January 2009

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Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets.
Derek C Cole, Joseph R Stock, Rajiv Chopra, Rebecca Cowling, John W Ellingboe, Eric S Manas

Bioorg Med Chem Lett· February 2008

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Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1' substrate binding pocket.
Lee D Jennings, Derek C Cole, Joseph R Stock, Mohani N Sukhdeo, John W Ellingboe, Eric S Manas

Bioorg Med Chem Lett· January 2008

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Thiophene substituted acylguanidines as BACE1 inhibitors.
William F Fobare, William R Solvibile, Albert J Robichaud, Michael S Malamas, Eric Manas

Bioorg Med Chem Lett· October 2007

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ERbeta ligands. Part 6: 6H-Chromeno[4,3-b]quinolines as a new series of estrogen receptor beta-selective ligands.
An T Vu, Alison N Campbell, Heather A Harris, Rayomand J Unwalla, Eric S Manas

Bioorg Med Chem Lett· July 2007

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Hydrates and solid-state reactivity: a survey of beta-lactam antibiotics.
Magali B Hickey, Matthew L Peterson, Eric S Manas, Juan Alvarez, Fredrik Haeffner

J Pharm Sci· May 2007

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Critical evaluation of methods to incorporate entropy loss upon binding in high-throughput docking.
Sumeet Salaniwal, Eric S Manas, Juan C Alvarez, Rayomand J Unwalla

Proteins· February 2007

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ERbeta ligands. Part 5: synthesis and structure-activity relationships of a series of 4'-hydroxyphenyl-aryl-carbaldehyde oxime derivatives.
Richard E Mewshaw, S Marc Bowen, Heather A Harris, Zhang B Xu, Eric S Manas

Bioorg Med Chem Lett· February 2007

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Acylguanidines as small-molecule beta-secretase inhibitors.
Derek C Cole, Eric S Manas, Joseph R Stock, Jeffrey S Condon, Lee D Jennings

J Med Chem· October 2006

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ERbeta ligands. Part 4: Synthesis and structure-activity relationships of a series of 2-phenylquinoline derivatives.
An T Vu, Stephen T Cohn, Eric S Manas, Heather A Harris, Richard E Mewshaw

Bioorg Med Chem Lett· October 2005

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ERbeta ligands. 3. Exploiting two binding orientations of the 2-phenylnaphthalene scaffold to achieve ERbeta selectivity.
Richard E Mewshaw, Richard J Edsall, Cuijian Yang, Eric S Manas, Zhang B Xu

J Med Chem· June 2005

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