Towards the comprehensive, rapid, and accurate prediction of the favorable tautomeric states of drug-like molecules in aqueous solution
Greenwood, Jeremy R., Calkins, David, Sullivan, Arron P., Shelley, John C.
Published in Journal of computer-aided molecular design (01.06.2010)
Published in Journal of computer-aided molecular design (01.06.2010)
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Multiconformation, Density Functional Theory-Based pK a Prediction in Application to Large, Flexible Organic Molecules with Diverse Functional Groups
Bochevarov, Art D, Watson, Mark A, Greenwood, Jeremy R, Philipp, Dean M
Published in Journal of chemical theory and computation (13.12.2016)
Published in Journal of chemical theory and computation (13.12.2016)
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Journal Article
Jaguar: A high-performance quantum chemistry software program with strengths in life and materials sciences
Bochevarov, Art D., Harder, Edward, Hughes, Thomas F., Greenwood, Jeremy R., Braden, Dale A., Philipp, Dean M., Rinaldo, David, Halls, Mathew D., Zhang, Jing, Friesner, Richard A.
Published in International journal of quantum chemistry (15.09.2013)
Published in International journal of quantum chemistry (15.09.2013)
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Journal Article
Acetyl-CoA carboxylase inhibition by ND-630 reduces hepatic steatosis, improves insulin sensitivity, and modulates dyslipidemia in rats
Harriman, Geraldine, Greenwood, Jeremy, Bhat, Sathesh, Huang, Xinyi, Wang, Ruiying, Paul, Debamita, Tong, Liang, Saha, Asish K., Westlin, William F., Kapeller, Rosana, Harwood, H. James
Published in Proceedings of the National Academy of Sciences - PNAS (29.03.2016)
Published in Proceedings of the National Academy of Sciences - PNAS (29.03.2016)
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Accurate and Reliable Prediction of Relative Ligand Binding Potency in Prospective Drug Discovery by Way of a Modern Free-Energy Calculation Protocol and Force Field
Wang, Lingle, Wu, Yujie, Deng, Yuqing, Kim, Byungchan, Pierce, Levi, Krilov, Goran, Lupyan, Dmitry, Robinson, Shaughnessy, Dahlgren, Markus K, Greenwood, Jeremy, Romero, Donna L, Masse, Craig, Knight, Jennifer L, Steinbrecher, Thomas, Beuming, Thijs, Damm, Wolfgang, Harder, Ed, Sherman, Woody, Brewer, Mark, Wester, Ron, Murcko, Mark, Frye, Leah, Farid, Ramy, Lin, Teng, Mobley, David L, Jorgensen, William L, Berne, Bruce J, Friesner, Richard A, Abel, Robert
Published in Journal of the American Chemical Society (25.02.2015)
Published in Journal of the American Chemical Society (25.02.2015)
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Journal Article
Bird densities are associated with household densities
TRATALOS, JAMIE, FULLER, RICHARD A, EVANS, KARL L, DAVIES, RICHARD G, NEWSON, STUART E, GREENWOOD, JEREMY J.D, GASTON, KEVIN J
Published in Global change biology (01.08.2007)
Published in Global change biology (01.08.2007)
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Journal Article
Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein−Ligand Complexes
Friesner, Richard A, Murphy, Robert B, Repasky, Matthew P, Frye, Leah L, Greenwood, Jeremy R, Halgren, Thomas A, Sanschagrin, Paul C, Mainz, Daniel T
Published in Journal of medicinal chemistry (19.10.2006)
Published in Journal of medicinal chemistry (19.10.2006)
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Journal Article
Inhibition of acetyl-CoA carboxylase suppresses fatty acid synthesis and tumor growth of non-small-cell lung cancer in preclinical models
Svensson, Robert U, Parker, Seth J, Eichner, Lillian J, Kolar, Matthew J, Wallace, Martina, Brun, Sonja N, Lombardo, Portia S, Van Nostrand, Jeanine L, Hutchins, Amanda, Vera, Lilliana, Gerken, Laurie, Greenwood, Jeremy, Bhat, Sathesh, Harriman, Geraldine, Westlin, William F, Harwood, H James, Saghatelian, Alan, Kapeller, Rosana, Metallo, Christian M, Shaw, Reuben J
Published in Nature medicine (01.10.2016)
Published in Nature medicine (01.10.2016)
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Journal Article
Epik: a software program for pK( a ) prediction and protonation state generation for drug-like molecules
Shelley, John C, Cholleti, Anuradha, Frye, Leah L, Greenwood, Jeremy R, Timlin, Mathew R, Uchimaya, Makoto
Published in Journal of computer-aided molecular design (01.12.2007)
Published in Journal of computer-aided molecular design (01.12.2007)
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Journal Article
Use of distance sampling to improve estimates of national population sizes for common and widespread breeding birds in the UK
Newson, Stuart E., Evans, Karl L., Noble, David G., Greenwood, Jeremy J. D., Gaston, Kevin J.
Published in The Journal of applied ecology (01.10.2008)
Published in The Journal of applied ecology (01.10.2008)
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Journal Article
Dissecting the species–energy relationship
Evans, Karl L, Greenwood, Jeremy J.D, Gaston, Kevin J
Published in Proceedings of the Royal Society. B, Biological sciences (22.10.2005)
Published in Proceedings of the Royal Society. B, Biological sciences (22.10.2005)
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Journal Article
WScore: A Flexible and Accurate Treatment of Explicit Water Molecules in Ligand–Receptor Docking
Murphy, Robert B, Repasky, Matthew P, Greenwood, Jeremy R, Tubert-Brohman, Ivan, Jerome, Steven, Annabhimoju, Ramakrishna, Boyles, Nicholas A, Schmitz, Christopher D, Abel, Robert, Farid, Ramy, Friesner, Richard A
Published in Journal of medicinal chemistry (12.05.2016)
Published in Journal of medicinal chemistry (12.05.2016)
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Journal Article
Financing Development: The Role of Information Costs
Greenwood, Jeremy, Sanchez, Juan M., Wang, Cheng
Published in The American economic review (01.09.2010)
Published in The American economic review (01.09.2010)
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Journal Article
Multiconformation, Density Functional Theory-Based pKa Prediction in Application to Large, Flexible Organic Molecules with Diverse Functional Groups
Bochevarov, Art D, Watson, Mark A, Greenwood, Jeremy R, Philipp, Dean M
Published in Journal of chemical theory and computation (13.12.2016)
Published in Journal of chemical theory and computation (13.12.2016)
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Journal Article
Docking performance of the glide program as evaluated on the Astex and DUD datasets: a complete set of glide SP results and selected results for a new scoring function integrating WaterMap and glide
Repasky, Matthew P., Murphy, Robert B., Banks, Jay L., Greenwood, Jeremy R., Tubert-Brohman, Ivan, Bhat, Sathesh, Friesner, Richard A.
Published in Journal of computer-aided molecular design (01.06.2012)
Published in Journal of computer-aided molecular design (01.06.2012)
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Journal Article
Spatial Scale, Abundance and the Species-Energy Relationship in British Birds
Evans, Karl L., Newson, Stuart E., Storch, David, Greenwood, Jeremy J. D., Gaston, Kevin J.
Published in The Journal of animal ecology (01.03.2008)
Published in The Journal of animal ecology (01.03.2008)
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Journal Article
Contribution of rarity and commonness to patterns of species richness
Lennon, Jack J., Koleff, Patricia, Greenwood, Jeremy J. D., Gaston, Kevin J.
Published in Ecology letters (01.02.2004)
Published in Ecology letters (01.02.2004)
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Journal Article
Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis
Leit, Silvana, Greenwood, Jeremy R., Mondal, Sayan, Carriero, Samantha, Dahlgren, Markus, Harriman, Geraldine C., Kennedy-Smith, Joshua J., Kapeller, Rosana, Lawson, Jon P., Romero, Donna L., Toms, Angela V., Shelley, Mee, Wester, Ronald T., Westlin, William, McElwee, Joshua J., Miao, Wenyan, Edmondson, Scott D., Masse, Craig E.
Published in Bioorganic & medicinal chemistry letters (01.10.2022)
Published in Bioorganic & medicinal chemistry letters (01.10.2022)
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