Semi-Empirical Born–Oppenheimer Molecular Dynamics (SEBOMD) within the Amber Biomolecular Package by Marion, Antoine, Gokcan, Hatice, Monard, Gerald

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LICHEM 1.1: Recent Improvements and New Capabilities by Gökcan, Hatice, Vázquez-Montelongo, Erik Antonio, Cisneros, G. Andrés

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Prediction of protein pKa with representation learning by Gokcan, Hatice, Isayev, Olexandr

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Learning molecular potentials with neural networks by Gokcan, Hatice, Isayev, Olexandr

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Prediction of protein p K a with representation learning by Gokcan, Hatice, Isayev, Olexandr

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Prediction of protein pK a with representation learning by Gokcan, Hatice, Isayev, Olexandr

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Theoretical Study on HF Elimination and Aromatization Mechanisms: A Case of Pyridoxal 5′ Phosphate-Dependent Enzyme by Gökcan, Hatice, Konuklar, F. Aylin Sungur

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QM/MM Simulations with the Gaussian Electrostatic Model: A Density-based Polarizable Potential by Gökcan, Hatice, Kratz, Eric, Darden, Thomas A, Piquemal, Jean-Philip, Cisneros, G. Andrés

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Scalable hybrid deep neural networks/polarizable potentials biomolecular simulations including long-range effects by Jaffrelot Inizan, Théo, Plé, Thomas, Adjoua, Olivier, Ren, Pengyu, Gökcan, Hatice, Isayev, Olexandr, Lagardère, Louis, Piquemal, Jean-Philip

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Simulations of Pathogenic E1α Variants: Allostery and Impact on Pyruvate Dehydrogenase Complex-E1 Structure and Function by Gokcan, Hatice, Bedoyan, Jirair K., Isayev, Olexandr

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PYRUVATE DEHYDROGENASE COMPLEX DEFICIENCY, A MITOCHONDRIAL NEUROMETABOLIC DISORDER OF ENERGY DEFICIT IN NEED OF A GENE-SPECIFIC TARGET-BASED SMALL MOLECULE THERAPY: OUR APPROACH by Bedoyan, Jirair, Gokcan, Hatice, Avdiunina, Polina, Hannan, Robert, Isayev, Olexandr

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Molecular dynamics simulations of apo, holo, and inactivator bound GABA-at reveal the role of active site residues in PLP dependent enzymes by Gökcan, Hatice, Monard, Gerald, Sungur Konuklar, F. Aylin

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Prediction of protein p with representation learning by Gokcan, Hatice, Isayev, Olexandr

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Stereoelectronic explanations for the mechanistic details of transimination and HF elimination reactions by Gökcan, Hatice, Konuklar, F. Aylin Sungur

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Dynamics of the E. coli β-Clamp Dimer Interface and Its Influence on DNA Loading by Koleva, Bilyana N., Gokcan, Hatice, Rizzo, Alessandro A., Lim, Socheata, Jeanne Dit Fouque, Kevin, Choy, Angelina, Liriano, Melissa L., Fernandez-Lima, Francisco, Korzhnev, Dmitry M., Cisneros, G. Andrés, Beuning, Penny J.

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Amino acid ratio combinations as biomarkers for discriminating patients with pyruvate dehydrogenase complex deficiency from other inborn errors of metabolism by Verma, Anisha, Lehman, April N., Gokcan, Hatice, Cropcho, Lorna, Black, Danielle, Dobrowolski, Steven F., Vockley, Jerry, Bedoyan, Jirair K.

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A community effort in SARS‐CoV‐2 drug discovery by Schimunek, Johannes, Noé, Frank, Olsson, Simon, Raich, Lluís, Winter, Robin, Kurnikova, Maria G., Narangoda, Chamali H., Zubatyuk, Roman, Bosko, Ivan P., Furs, Konstantin V., Karpenko, Anna D., Kornoushenko, Yury V., Shuldau, Mikita, Yushkevich, Artsemi, Benabderrahmane, Mohammed B., Bousquet‐Melou, Patrick, Bureau, Ronan, Charton, Beatrice, Cirou, Bertrand C., Gil, Gérard, Allen, William J., Sirimulla, Suman, Antonopoulos, Nick, Epitropakis, Nikolaos, Krasoulis, Agamemnon, Theodorakis, Stavros, Medvedev, Alexander, Popov, Petr, Zaretckii, Mark, Halmich, Christina, Hochreiter, Sepp, Widrich, Michael, Kumar, Ashutosh, Jain, Moksh J., Korablyov, Maksym, Liu, Cheng‐Hao, Glaab, Enrico, Kaiser, Florian, Schroeder, Michael, Pugliese, Luisa, Athanasiou, Christina, Beccari, Andrea, Carloni, Paolo, Gianquinto, Eleonora, Goßen, Jonas, Joseph, Benjamin P., Kokh, Daria B., Kovachka, Sandra, Manelfi, Candida, Musiani, Francesco, Paiardi, Giulia, Rossetti, Giulia, Spyrakis, Francesca, Tsengenes, Alexandros, Copeland, Conner, Gaiser, Jeremiah, Roy, Amitava, Venkatraman, Vishwesh, Blaschitz, Klara, Cespugli, Marco, Durmaz, Vedat, Fischer, Patrick D., Gorgulla, Christoph, Gruber, Karl, Hetmann, Michael, Kinney, Jamie E., Padmanabha Das, Krishna M., Pandita, Shreya, Singh, Amit, Steinkellner, Georg, Tesseyre, Guilhem, Wagner, Gerhard, Wang, Zi‐Fu, Yust, Ryan J., Druzhilovskiy, Dmitry S., Filimonov, Dmitry A., Pogodin, Pavel V., Poroikov, Vladimir, Rudik, Anastassia V., Stolbov, Leonid A., De Rosa, Maria, De Simone, Giada, Gulotta, Maria R., Perricone, Ugo, Casini, Arturo, Embree, Amanda, Voigt, Christopher A., Chen, Kuang‐Yu, Jacob, Yves, Krischuns, Tim, Lafaye, Pierre, Rodríguez, M. Luis, White, Kris M., Fearon, Daren, Von Delft, Frank, Falsafi, Babak, Ford, Bryan, García‐Sastre, Adolfo, Naffakh, Nadia, Klambauer, Günter

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Real life efficacy and tolerability of Tenofovir alafenamde fumarate in liver transplant recipients: a multicenter study by Gokcan, Hale, Yapali, Suna, Harputluoglu, Murat, Ellik, Zeynep Melekoğlu, Gökçen, Pinar, Adanir, Haydar, Cosar, Arif Mansur, Durak, Serdar, Ari, Derya, Mehdiyev, Shahin, Koç, Elif Sitre, Guzelbulut, Fatih, Alkim, Huseyin, Ekmen, Nergis, Yıldırım, Abdullah Emre, Unsal, Yasemin, Teker, Tufan, Etik, Digdem Ozer, Vatansever, Sezgin, Balaban, Hatice Yasemin, Ozdil, Kamil, Arslan, Mehmet, Kayhan, Meral Akdogan, Gunduz, Feyza, Kıyıcı, Murat, Boyacıoğlu, Sedat, Simsek, Halis, Tozun, Nurdan, Dincer, Dinc, Idilman, Ramazan

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Trends and causes of etiology in adult liver transplant patients: multicenter study by Akarsu, Mesut, Harputluoglu, Murat, Yilmaz, Sezai, Gencdal, Genco, Akyildiz, Murat, Polat, Kamil Yalcin, Dincer, Dinc, Adanir, Haydar, Turan, Ilker, Günsar, Fulya, Karasu, Zeki, Gokcan, Hale, Karademir, Sedat, Kabaçam, Gökhan, Kayhan, Meral Akdogan, Kiyici, Murat, Gulsen, Murat Taner, Balaban, Hatice Yasemin, Dogrul, Ahmet Bulent, Dolu, Suleyman, Senkaya, Ali, Ellik, Zeynep Melekoğlu, Eren, Fatih, Idilman, Ramazan

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THU174 - Outcomes following deceased and live donor liver transplantation for the indication of acute liver failure: a multicenter experience by Turan, Ilker, Aladag, Murat, Harputluoglu, Murat, Yilmaz, Sezai, Gencdal, Genco, Polat, Kamil Yalçin, Özçay, Figen, Akarsu, Mesut, Unek, Tarkan, Karasu, Zeki, Zeytunlu, Murat, Sumer, Hale Gokcan, Bostanci, Erdal Birol, Kartal, Aysun Caliskan, Balci, Deniz, Dayangac, Murat, Dincer, Dinc, Adanir, Haydar, Dursun, Hakan, Gulsen, Murat Taner, Gunduz, Feyza, Balaban, Hatice Yasemin, Kabaçam, Gökhan, Akyildiz, Murat, Günsar, Fulya, Akarca, Ulus, Gurakar, Ahmet, Idilman, Ramazan

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