Conformational ensemble of native α-synuclein in solution as determined by short-distance crosslinking constraint-guided discrete molecular dynamics simulations von Brodie, Nicholas I, Popov, Konstantin I, Petrotchenko, Evgeniy V, Dokholyan, Nikolay V, Borchers, Christoph H

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MERTK mediated novel site Akt phosphorylation alleviates SAV1 suppression von Jiang, Yao, Zhang, Yanqiong, Leung, Janet Y., Fan, Cheng, Popov, Konstantin I., Su, Siyuan, Qian, Jiayi, Wang, Xiaodong, Holtzhausen, Alisha, Ubil, Eric, Xiang, Yang, Davis, Ian, Dokholyan, Nikolay V., Wu, Gang, Perou, Charles M., Kim, William Y., Earp, H. Shelton, Liu, Pengda

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Identification of lysine methylation in the core GTPase domain by GoMADScan von Yoshino, Hirofumi, Yin, Guowei, Kawaguchi, Risa, Popov, Konstantin I, Temple, Brenda, Sasaki, Mika, Kofuji, Satoshi, Wolfe, Kara, Kofuji, Kaori, Okumura, Koichi, Randhawa, Jaskirat, Malhotra, Akshiv, Majd, Nazanin, Ikeda, Yoshiki, Shimada, Hiroko, Kahoud, Emily Rose, Haviv, Sasson, Iwase, Shigeki, Asara, John M, Campbell, Sharon L, Sasaki, Atsuo T

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Synthesis of 5-Benzylamino and 5-Alkylamino-Substituted Pyrimido[4,5-c]quinoline Derivatives as CSNK2A Inhibitors with Antiviral Activity von Asressu, Kesatebrhan Haile, Smith, Jeffery L, Dickmander, Rebekah J, Moorman, Nathaniel J, Wellnitz, James, Popov, Konstantin I, Axtman, Alison D, Willson, Timothy M

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BigBind: Learning from Nonstructural Data for Structure-Based Virtual Screening von Brocidiacono, Michael, Francoeur, Paul, Aggarwal, Rishal, Popov, Konstantin I., Koes, David Ryan, Tropsha, Alexander

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HIt Discovery using docking ENriched by GEnerative Modeling (HIDDEN GEM): A novel computational workflow for accelerated virtual screening of ultra‐large chemical libraries von Popov, Konstantin I., Wellnitz, James, Maxfield, Travis, Tropsha, Alexander

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Insight into the Structure of the “Unstructured” Tau Protein von Popov, Konstantin I., Makepeace, Karl A.T., Petrotchenko, Evgeniy V., Dokholyan, Nikolay V., Borchers, Christoph H.

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Determination of Critical Conditions for the Formation of Electrodeposited Copper Structures Suitable for Electrodes in Electrochemical Devices von Nikolic, Nebojsa D., Popov, Konstantin I., Pavlovic, Ljubica J., Pavlovic, Miomir G.

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STOPLIGHT: A Hit Scoring Calculator von Wellnitz, James, Martin, Holli-Joi, Anwar Hossain, Mohammad, Rath, Marielle, Fox, Colton, Popov, Konstantin I., Willson, Timothy M., Muratov, Eugene N., Tropsha, Alexander

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Learning from history: do not flatten the curve of antiviral research von Bobrowski, Tesia, Melo-Filho, Cleber C., Korn, Daniel, Alves, Vinicius M., Popov, Konstantin I., Auerbach, Scott, Schmitt, Charles, Moorman, Nathaniel J., Muratov, Eugene N., Tropsha, Alexander

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Pharmacokinetics Profiler (PhaKinPro): Model Development, Validation, and Implementation as a Web Tool for Triaging Compounds with Undesired Pharmacokinetics Profiles von Rath, Marielle, Wellnitz, James, Martin, Holli-Joi, Melo-Filho, Cleber, Hochuli, Joshua E., Silva, Guilherme Martins, Beasley, Jon-Michael, Travis, Maxfield, Sessions, Zoe L., Popov, Konstantin I., Zakharov, Alexey V., Cherkasov, Artem, Alves, Vinicius, Muratov, Eugene N., Tropsha, Alexander

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Uncovered Dynamic Coupling Resolves the Ambiguous Mechanism of Phenylalanine Hydroxylase Oxygen Binding von Reilley, David J, Popov, Konstantin I, Dokholyan, Nikolay V, Alexandrova, Anastassia N

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Mixed, nonclassical behavior in a classic allosteric protein von Sapienza, Paul J, Bonin, Jeffrey P, Jinasena, H P Dinusha, Li, Kelin, Dieckhaus, Henry, Popov, Konstantin I, Aubé, Jeffrey, Lee, Andrew L

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Identification of a cell-active chikungunya virus nsP2 protease inhibitor using a covalent fragment-based screening approach von Merten, Eric M, Sears, John D, Leisner, Tina M, Hardy, P Brian, Ghoshal, Anirban, Hossain, Mohammad Anwar, Asressu, Kesatebrhan Haile, Brown, Peter J, Tse, Edwin G, Stashko, Michael A, Li, Kelin, Norris-Drouin, Jacqueline L, Herring, Laura E, Mordant, Angie L, Webb, Thomas S, Mills, Christine A, Barker, Natalie K, Streblow, Zachary J, Perveen, Sumera, Arrowsmith, Cheryl H, Couñago, Rafael Miguez, Arnold, Jamie J, Cameron, Craig E, Streblow, Daniel N, Moorman, Nathaniel J, Heise, Mark T, Willson, Timothy M, Popov, Konstantin I, Pearce, Kenneth H

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Integrated approach to elucidate metal-implant related adverse outcome pathways von Beasley, Jon-Michael T., Korn, Daniel R., Popov, Konstantin I., Dumproff, Reagan L., Sessions, Zoe L., Rath, Marielle K., Alves, Vinicius M., Causey, Kevin, Rua, Diego, Muratov, Eugene N., Tropsha, Alexander

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Effect of temperature on the electrodeposition of disperse copper deposits von Nikolic, Nebojsa, Pavlovic, Ljubica, Pavlovic, Miomir, Popov, Konstantin

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Ligand-induced disorder-to-order transitions characterized by structural proteomics and molecular dynamics simulations von Makepeace, Karl A.T., Brodie, Nicholas I., Popov, Konstantin I., Gudavicius, Geoff, Nelson, Christopher J., Petrotchenko, Evgeniy V., Dokholyan, Nikolay V., Borchers, Christoph H.

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Mapping allosteric linkage to channel gating by extracellular domains in the human epithelial sodium channel von Shobair, Mahmoud, Popov, Konstantin I., Dang, Yan L., He, Hong, Stutts, M. Jackson, Dokholyan, Nikolay V.

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Surface induced self-organization of comb-like macromolecules von Popov, Konstantin I, Palyulin, Vladimir V, Möller, Martin, Khokhlov, Alexei R, Potemkin, Igor I

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The effect of the concentration of the reacting ion on the control of the electrodeposition process von Zivkovic, Predrag, Nikolic, Nebojsa, Gvozdenovic, Milica, Popov, Konstantin

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