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
Thermodynamic analysis of water molecules at the surface of proteins and applications to binding site prediction and characterization
Beuming, Thijs, Che, Ye, Abel, Robert, Kim, Byungchan, Shanmugasundaram, Veerabahu, Sherman, Woody
Published in Proteins, structure, function, and bioinformatics (01.03.2012)
Published in Proteins, structure, function, and bioinformatics (01.03.2012)
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Journal Article
Accurate Modeling of Scaffold Hopping Transformations in Drug Discovery
Wang, Lingle, Deng, Yuqing, Wu, Yujie, Kim, Byungchan, LeBard, David N, Wandschneider, Dan, Beachy, Mike, Friesner, Richard A, Abel, Robert
Published in Journal of chemical theory and computation (10.01.2017)
Published in Journal of chemical theory and computation (10.01.2017)
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Journal Article
Modeling Local Structural Rearrangements Using FEP/REST: Application to Relative Binding Affinity Predictions of CDK2 Inhibitors
Wang, Lingle, Deng, Yuqing, Knight, Jennifer L, Wu, Yujie, Kim, Byungchan, Sherman, Woody, Shelley, John C, Lin, Teng, Abel, Robert
Published in Journal of chemical theory and computation (12.02.2013)
Published in Journal of chemical theory and computation (12.02.2013)
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Journal Article
Choosing a camera and optimizing system parameters for speckle contrast optical spectroscopy
Cheng, Tom Y, Kim, Byungchan, Zimmermann, Bernhard B, Robinson, Mitchell B, Renna, Marco, Carp, Stefan A, Franceschini, Maria Angela, Boas, David A, Cheng, Xiaojun
Published in Scientific reports (24.05.2024)
Published in Scientific reports (24.05.2024)
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Journal Article
K-FL: Kalman Filter-Based Clustering Federated Learning Method
Kim, Hyungbin, Kim, Byungchan, Kim, Yongho, You, Cheolwoo, Park, Hyunhee
Published in IEEE access (2023)
Published in IEEE access (2023)
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Journal Article
Normal aging in mice is associated with a global reduction in cortical spectral power and network-specific declines in functional connectivity
Albertson, Asher J., Landsness, Eric C., Tang, Michelle J., Yan, Ping, Miao, Hanyang, Rosenthal, Zachary P., Kim, Byungchan, Culver, Joseph C., Bauer, Adam Q, Lee, Jin-Moo
Published in NeuroImage (Orlando, Fla.) (15.08.2022)
Published in NeuroImage (Orlando, Fla.) (15.08.2022)
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Journal Article
Spatiotemporal relationships between neuronal, metabolic, and hemodynamic signals in the awake and anesthetized mouse brain
Wang, Xiaodan, Padawer-Curry, Jonah A., Bice, Annie R., Kim, Byungchan, Rosenthal, Zachary P., Lee, Jin-Moo, Goyal, Manu S., Macauley, Shannon L., Bauer, Adam Q.
Published in Cell reports (Cambridge) (24.09.2024)
Published in Cell reports (Cambridge) (24.09.2024)
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Journal Article
Measuring human cerebral blood flow and brain function with fiber-based speckle contrast optical spectroscopy system
Kim, Byungchan, Zilpelwar, Sharvari, Sie, Edbert J, Marsili, Francesco, Zimmermann, Bernhard, Boas, David A, Cheng, Xiaojun
Published in Communications biology (14.08.2023)
Published in Communications biology (14.08.2023)
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Journal Article
On Graham partitions twisted by the Legendre symbol
Kim, Byungchan, Kim, Ji Young, Lee, Chong Gyu, Lee, Sang June, Park, Poo-Sung, Park, Yoon Kyung
Published in Open mathematics (Warsaw, Poland) (26.10.2023)
Published in Open mathematics (Warsaw, Poland) (26.10.2023)
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Journal Article
Study of SarA by DNA Affinity Capture Assay (DACA) Employing Three Promoters of Key Virulence and Resistance Genes in Methicillin-Resistant Staphylococcus aureus
Kim, Byungchan, Lee, Hong-Ju, Jo, Sung-Hyun, Kim, Min-Gyu, Lee, Yeonhee, Lee, Wonsik, Kim, Wooseong, Joo, Hwang-Soo, Kim, Yun-Gon, Kim, Jae-Seok, Yang, Yung-Hun
Published in Antibiotics (Basel) (28.11.2022)
Published in Antibiotics (Basel) (28.11.2022)
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Journal Article
Leucyl-tRNA Synthetase Inhibitor, D-Norvaline, in Combination with Oxacillin, Is Effective against Methicillin-Resistant Staphylococcus aureus
Lee, Hong-Ju, Kim, Byungchan, Kim, Suhyun, Cho, Do-Hyun, Jung, Heeju, Kim, Wooseong, Kim, Yun-Gon, Kim, Jae-Seok, Joo, Hwang-Soo, Lee, Sang-Ho, Yang, Yung-Hun
Published in Antibiotics (Basel) (18.05.2022)
Published in Antibiotics (Basel) (18.05.2022)
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Journal Article
Unraveling Biohydrogen Production and Sugar Utilization Systems in the Electricigen Shewanella marisflavi BBL25
Sang Hyun Kim, Hyun Joong Kim, Su Hyun Kim, Hee Ju Jung, Byungchan Kim, Do-hyun Cho, Jong-min Jeon, Jeong-jun Yoon, Sang-hyoun Kim, Jeong-hoon Park, Shashi Kant Bhatia, Yung-hun Yang
Published in Journal of microbiology and biotechnology (31.05.2023)
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Published in Journal of microbiology and biotechnology (31.05.2023)
Journal Article
Structure and Dynamics of the Solvation of Bovine Pancreatic Trypsin Inhibitor in Explicit Water: A Comparative Study of the Effects of Solvent and Protein Polarizability
Kim, Byungchan, Young, Tom, Harder, Edward, Friesner, Richard A, Berne, B. J
Published in The journal of physical chemistry. B (01.09.2005)
Published in The journal of physical chemistry. B (01.09.2005)
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