Prediction of Protein–Ligand Binding Poses via a Combination of Induced Fit Docking and Metadynamics Simulations
Clark, Anthony J, Tiwary, Pratyush, Borrelli, Ken, Feng, Shulu, Miller, Edward B, Abel, Robert, Friesner, Richard A, Berne, B. J
Published in Journal of chemical theory and computation (14.06.2016)
Published in Journal of chemical theory and computation (14.06.2016)
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Journal Article
Isolated abdominal aortitis following administration of granulocyte colony stimulating factor (G-CSF)
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Book Review
Capsid Antibodies to Different Adeno-Associated Virus Serotypes Bind Common Regions
Gurda, Brittney L, DiMattia, Michael A, Miller, Edward B, Bennett, Antonette, McKenna, Robert, Weichert, Wendy S, Nelson, Christian D, Chen, Wei-jun, Muzyczka, Nicholas, Olson, Norman H, Sinkovits, Robert S, Chiorini, John A, Zolotutkhin, Sergei, Kozyreva, Olga G, Samulski, R Jude, Baker, Timothy S, Parrish, Colin R, Agbandje-McKenna, Mavis
Published in Journal of Virology (01.08.2013)
Published in Journal of Virology (01.08.2013)
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Journal Article
Prospective observational study of young adult ischemic stroke patients
Shihmanter, Renata, Friedman, Joshua, Kushner, Natali, Miller, Edward B., Schattner, Ami
Published in Brain and behavior (01.09.2021)
Published in Brain and behavior (01.09.2021)
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Journal Article
Incidence of Profound Hypogammaglobulinemia and Infection Rate in Lymphoma Patients Following the Combination of Chemotherapy and Rituximab
Filanovsky, Kalman, Miller, Edward B, Sigler, Erica, Berrebi, Alain, Shvidel, Lev
Published in Recent patents on anti-cancer drug discovery (01.04.2016)
Published in Recent patents on anti-cancer drug discovery (01.04.2016)
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Journal Article
Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery
Zhang, Yuqi, Vass, Marton, Shi, Da, Abualrous, Esam, Chambers, Jennifer M., Chopra, Nikita, Higgs, Christopher, Kasavajhala, Koushik, Li, Hubert, Nandekar, Prajwal, Sato, Hideyuki, Miller, Edward B., Repasky, Matthew P., Jerome, Steven V.
Published in Journal of chemical information and modeling (27.03.2023)
Published in Journal of chemical information and modeling (27.03.2023)
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Journal Article
Metal oxide semiconductor nanomaterial for reductive debromination: Visible light degradation of polybrominated diphenyl ethers by Cu2O@Pd nanostructures
Miller, Edward B., Zahran, Elsayed M., Knecht, Marc R., Bachas, Leonidas G.
Published in Applied catalysis. B, Environmental (15.09.2017)
Published in Applied catalysis. B, Environmental (15.09.2017)
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Journal Article
On the Validity of the Born−Oppenheimer Separation and the Accuracy of Diagonal Corrections in Anharmonic Molecular Vibrations
Hirata, So, Miller, Edward B, Ohnishi, Yu-ya, Yagi, Kiyoshi
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (12.11.2009)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (12.11.2009)
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Journal Article
Induced-Fit Docking Enables Accurate Free Energy Perturbation Calculations in Homology Models
Xu, Tianchuan, Zhu, Kai, Beautrait, Alexandre, Vendome, Jeremie, Borrelli, Kenneth W., Abel, Robert, Friesner, Richard A., Miller, Edward B.
Published in Journal of chemical theory and computation (13.09.2022)
Published in Journal of chemical theory and computation (13.09.2022)
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Journal Article
Reliable and Accurate Solution to the Induced Fit Docking Problem for Protein–Ligand Binding
Miller, Edward B, Murphy, Robert B, Sindhikara, Daniel, Borrelli, Kenneth W, Grisewood, Matthew J, Ranalli, Fabio, Dixon, Steven L, Jerome, Steven, Boyles, Nicholas A, Day, Tyler, Ghanakota, Phani, Mondal, Sayan, Rafi, Salma B, Troast, Dawn M, Abel, Robert, Friesner, Richard A
Published in Journal of chemical theory and computation (13.04.2021)
Published in Journal of chemical theory and computation (13.04.2021)
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Journal Article
Enabling structure-based drug discovery utilizing predicted models
Miller, Edward B., Hwang, Howook, Shelley, Mee, Placzek, Andrew, Rodrigues, João P.G.L.M., Suto, Robert K., Wang, Lingle, Akinsanya, Karen, Abel, Robert
Published in Cell (01.02.2024)
Published in Cell (01.02.2024)
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Journal Article
Reliable and Accurate Prediction of Single-Residue pKa Values through Free Energy Perturbation Calculations
Coskun, Dilek, Chen, Wei, Clark, Anthony J, Lu, Chao, Harder, Edward D, Wang, Lingle, Friesner, Richard A, Miller, Edward B
Published in Journal of chemical theory and computation (13.12.2022)
Published in Journal of chemical theory and computation (13.12.2022)
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Journal Article
Using AlphaFold and Experimental Structures for the Prediction of the Structure and Binding Affinities of GPCR Complexes via Induced Fit Docking and Free Energy Perturbation
Coskun, Dilek, Lihan, Muyun, Rodrigues, João P. G. L. M., Vass, Márton, Robinson, Daniel, Friesner, Richard A., Miller, Edward B.
Published in Journal of chemical theory and computation (09.01.2024)
Published in Journal of chemical theory and computation (09.01.2024)
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Journal Article
Reliable and Accurate Prediction of Single-Residue p K a Values through Free Energy Perturbation Calculations
Coskun, Dilek, Chen, Wei, Clark, Anthony J, Lu, Chao, Harder, Edward D, Wang, Lingle, Friesner, Richard A, Miller, Edward B
Published in Journal of chemical theory and computation (13.12.2022)
Published in Journal of chemical theory and computation (13.12.2022)
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Journal Article
Correction to “Structure–Activity Relationship of a Pyrrole Based Series of PfPKG Inhibitors as Anti-Malarials”
Gilleran, John A., Ashraf, Kutub, Delvillar, Melvin, Eck, Tyler, Fondekar, Raheel, Miller, Edward B., Hutchinson, Ashley, Dong, Aiping, Seitova, Alma, De Souza, Mariana Laureano, Augeri, David, Halabelian, Levon, Siekierka, John, Rotella, David P., Gordon, John, Childers, Wayne E., Grier, Mark C., Staker, Bart L., Roberge, Jacques Y., Bhanot, Purnima
Published in Journal of medicinal chemistry (25.07.2024)
Published in Journal of medicinal chemistry (25.07.2024)
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Journal Article
Structure–Activity Relationship of a Pyrrole Based Series of PfPKG Inhibitors as Anti-Malarials
Gilleran, John A., Ashraf, Kutub, Delvillar, Melvin, Eck, Tyler, Fondekar, Raheel, Miller, Edward B., Hutchinson, Ashley, Dong, Aiping, Seitova, Alma, De Souza, Mariana Laureano, Augeri, David, Halabelian, Levon, Siekierka, John, Rotella, David P., Gordon, John, Childers, Wayne E., Grier, Mark C., Staker, Bart L., Roberge, Jacques Y., Bhanot, Purnima
Published in Journal of medicinal chemistry (14.03.2024)
Published in Journal of medicinal chemistry (14.03.2024)
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Journal Article
Mechanistic analysis identifying reaction pathways for rapid reductive photodebromination of polybrominated diphenyl ethers using BiVO4/BiOBr/Pd heterojunction nanocomposite photocatalyst
Miller, Edward B, Zahran, Elsayed M, Knecht, Marc R, Bachas, Leonidas G
Published in Environmental science. Nano (17.03.2022)
Published in Environmental science. Nano (17.03.2022)
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Journal Article
Prediction of Long Loops with Embedded Secondary Structure Using the Protein Local Optimization Program
Miller, Edward B, Murrett, Colleen S, Zhu, Kai, Zhao, Suwen, Goldfeld, Dahlia A, Bylund, Joseph H, Friesner, Richard A
Published in Journal of chemical theory and computation (12.03.2013)
Published in Journal of chemical theory and computation (12.03.2013)
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