A highly accurate metadynamics-based Dissociation Free Energy method to calculate protein–protein and protein–ligand binding potencies von Wang, Jing, Ishchenko, Alexey, Zhang, Wei, Razavi, Asghar, Langley, David

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Crystal structure, dielectric, and optical properties of β-calcium orthophosphates heavily doped with ytterbium von Zhukovskaya, Evgeniya S., Deyneko, Dina V., Baryshnikova, Oksana V., Belik, Alexei A., Leonidov, Ivan I., Ishchenko, Alexey V., Stefanovich, Sergey Y., Morozov, Vladimir A., Lazoryak, Bogdan I.

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Unraveling Oxygen Vacancies Effect on Chemical Composition, Electronic Structure and Optical Properties of Eu Doped SnO2 von Mashkovtsev, Maxim A., Kosykh, Anastasiya S., Ishchenko, Alexey V., Chukin, Andrey V., Kukharenko, Andrey I., Troshin, Pavel A., Zhidkov, Ivan S.

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Novel Red Phosphor of Gd3+, Sm3+ co-Activated AgxGd((2−x)/3)−0.3−ySmyEu3+0.30☐(1−2x−2y)/3WO4 Scheelites for LED Lighting von Morozov, Vladimir A., Lazoryak, Bogdan I., Savina, Aleksandra A., Khaikina, Elena G., Leonidov, Ivan I., Ishchenko, Alexey V., Deyneko, Dina V.

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SMall Molecule Growth 2001 (SMoG2001):  An Improved Knowledge-Based Scoring Function for Protein−Ligand Interactions von Ishchenko, Alexey V, Shakhnovich, Eugene I

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Lessons in PROTAC Design from Selective Degradation with a Promiscuous Warhead von Bondeson, Daniel P., Smith, Blake E., Burslem, George M., Buhimschi, Alexandru D., Hines, John, Jaime-Figueroa, Saul, Wang, Jing, Hamman, Brian D., Ishchenko, Alexey, Crews, Craig M.

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Combinatorial Computational Method Gives New Picomolar Ligands for a Known Enzyme von Grzybowski, Bartosz A., Ishchenko, Alexey V., Kim, Chu-Young, Topalov, George, Chapman, Robert, Christianson, David W., Whitesides, George M., Shakhnovich, Eugene I.

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From Knowledge-Based Potentials to Combinatorial Lead Design in Silico von Grzybowski, Bartosz A, Ishchenko, Alexey V, Shimada, Jun, Shakhnovich, Eugene I

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Optimization of orally bioavailable alkyl amine renin inhibitors von Xu, Zhenrong, Cacatian, Salvacion, Yuan, Jing, Simpson, Robert D., Jia, Lanqi, Zhao, Wei, Tice, Colin M., Flaherty, Patrick T., Guo, Joan, Ishchenko, Alexey, Singh, Suresh B., Wu, Zhongren, McKeever, Brian M., Scott, Boyd B., Bukhtiyarov, Yuri, Berbaum, Jennifer, Mason, Jennifer, Panemangalore, Reshma, Cappiello, Maria Grazia, Bentley, Ross, Doe, Christopher P., Harrison, Richard K., McGeehan, Gerard M., Dillard, Lawrence W., Baldwin, John J., Claremon, David A.

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Luminescence Properties of ZrO 2 : Ti Ceramics Irradiated with Electrons and High-Energy Xe Ions von Dauletbekova, Alma, Zvonarev, Sergey, Nikiforov, Sergey, Akilbekov, Abdirash, Shtang, Tatiana, Karavannova, Natalia, Akylbekova, Aiman, Ishchenko, Alexey, Akhmetova-Abdik, Gulzhanat, Baymukhanov, Zein, Aralbayeva, Gulnara, Baubekova, Guldar, Popov, Anatoli I

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Luminescence Properties of ZrO[sub.2]: Ti Ceramics Irradiated with Electrons and High-Energy Xe Ions von Dauletbekova, Alma, Zvonarev, Sergey, Nikiforov, Sergey, Akilbekov, Abdirash, Shtang, Tatiana, Karavannova, Natalia, Akylbekova, Aiman, Ishchenko, Alexey, Akhmetova-Abdik, Gulzhanat, Baymukhanov, Zein, Aralbayeva, Gulnara, Baubekova, Guldar, Popov, Anatoli I

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Novel Red Phosphor of Gd 3+ , Sm 3+ co-Activated Ag x Gd ((2- x )/3)-0.3- y Sm y Eu 3+ 0.30 ☐ (1-2 x -2 y )/3 WO 4 Scheelites for LED Lighting von Morozov, Vladimir A, Lazoryak, Bogdan I, Savina, Aleksandra A, Khaikina, Elena G, Leonidov, Ivan I, Ishchenko, Alexey V, Deyneko, Dina V

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Novel Red Phosphor of Gd[sup.3+], Sm[sup.3+] co-Activated AgIx/IGd[sub./3]WO[sub.4] Scheelites for LED Lighting von Morozov, Vladimir A, Lazoryak, Bogdan I, Savina, Aleksandra A, Khaikina, Elena G, Leonidov, Ivan I, Ishchenko, Alexey V, Deyneko, Dina V

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Luminescence Properties of ZrO2: Ti Ceramics Irradiated with Electrons and High-Energy Xe Ions von Dauletbekova, Alma, Zvonarev, Sergey, Nikiforov, Sergey, Akilbekov, Abdirash, Shtang, Tatiana, Karavannova, Natalia, Akylbekova, Aiman, Ishchenko, Alexey, Akhmetova-Abdik, Gulzhanat, Baymukhanov, Zein, Aralbayeva, Gulnara, Baubekova, Guldar, Popov, Anatoli I.

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Unraveling Oxygen Vacancies Effect on Chemical Composition, Electronic Structure and Optical Properties of Eu Doped SnO 2 von Mashkovtsev, Maxim A, Kosykh, Anastasiya S, Ishchenko, Alexey V, Chukin, Andrey V, Kukharenko, Andrey I, Troshin, Pavel A, Zhidkov, Ivan S

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Unraveling Oxygen Vacancies Effect on Chemical Composition, Electronic Structure and Optical Properties of Eu Doped SnO[sub.2] von Mashkovtsev, Maxim A, Kosykh, Anastasiya S, Ishchenko, Alexey V, Chukin, Andrey V, Kukharenko, Andrey I, Troshin, Pavel A, Zhidkov, Ivan S

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Development of a Knowledge-Based Potential for Crystals of Small Organic Molecules:  Calculation of Energy Surfaces for C=0···H−N Hydrogen Bonds von Grzybowski, Bartosz A, Ishchenko, Alexey V, DeWitte, Robert S, Whitesides, George M, Shakhnovich, Eugene I

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SMoG:  de Novo Design Method Based on Simple, Fast, and Accurate Free Energy Estimates. 2. Case Studies in Molecular Design von DeWitte, Robert S, Ishchenko, Alexey V, Shakhnovich, Eugene I

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Abstract 5687: Selective, chemically-induced degradation of BRM ( SMARCA2 ) enables in vivo efficacy in BRG1 ( SMARCA4 )-deficient xenograft tumor models von Berlin, Michael, Cantley, Jennifer, Wang, Jing, Bookbinder, Mark, Cadelina, Gregory, Chan, Emily, Chen, Huifen, Chen, Xin, Davenport, Kim, Fernando, Tharu, Gordon, Debbie, Hamman, Brian, Haskell, Roy, Ishchenko, Alexey, Kirkpatrick, Donald S., Maher, Jonathan, Merchant, Mark, Moffat, John, Morgan, Alicia, Nguyen, An, Pizzano, Jennifer, Quinn, Connor, Rose, Christopher M., Rousseau, Emma, Sethuraman, Vijay, Staben, Leanna, Wilson, Catherine, Ye, Xiaofen, Broccatelli, Fabio, Yauch, Robert, Dragovich, Peter S.

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Structure-based design of low-nanomolar PIM kinase inhibitors von Ishchenko, Alexey, Zhang, Lin, Le Brazidec, Jean-Yves, Fan, Junhua, Chong, Jer Hong, Hingway, Aparna, Raditsis, Annie, Singh, Latika, Elenbaas, Brian, Hong, Victor Sukbong, Marcotte, Doug, Silvian, Laura, Enyedy, Istvan, Chao, Jianhua

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