Brownian dynamics of a compressed polymer brush model. Off-equilibrium response as a function of surface coverage and compression rate von CARLSSON, T, KAMERLIN, N, ARTECA, G. A, ELVINGSON, C

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Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases von Burke, Jason R, La Clair, James J, Philippe, Ryan N, Pabis, Anna, Corbella, Marina, Jez, Joseph M, Cortina, George A, Kaltenbach, Miriam, Bowman, Marianne E, Louie, Gordon V, Woods, Katherine B, Nelson, Andrew T, Tawfik, Dan S, Kamerlin, Shina C.L, Noel, Joseph P

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Artificial, biomimetic and hybrid enzymes: general discussion von Acevedo-Rocha, Carlos, Bakshi, Amulyasai, Bornscheuer, Uwe T, Campopiano, Dominic J, Čivić, Janko, Drienovská, Ivana, Ehinger, Friedrich Johannes, Gomm, Andrew, Góra, Artur, Green, Anthony P, Hanzevacki, Marko, Harvey, Jeremy N, Hilvert, Donald, Huang, Meilan, Jarvis, Amanda G, Kamerlin, Shina Caroline Lynn, Lichtenstein, Bruce R, Luk, Louis Y P, Lutz, Stefan, Marsh, E Neil G, McKenzie, Alexander, Moliner, Vicent, Mulholland, Adrian, Osuna, Sílvia, Pelletier, Joelle N, Raczyńska, Agata, Rao, Aditya Gopalakrishna, Rhys, Guto G, Roelfes, Gerard, Rulíšek, Lubomír, Stockinger, Peter, Szleper, Katarzyna, Thompson, Sean Adeoti, Turner, Nicholas, Van der Kamp, Marc, Xu, Guangcai, Zeymer, Cathleen

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DNA Polymerase λ Active Site Favors a Mutagenic Mispair between the Enol Form of Deoxyguanosine Triphosphate Substrate and the Keto Form of Thymidine Template: A Free Energy Pertur... von Maximoff, Sergey N, Kamerlin, Shina Caroline Lynn, Florián, Jan

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The need to implement FAIR principles in biomolecular simulations von Åqvist, Johan, Bahar, Ivet, Battistini, Federica, Bellaiche, Adam, Beltran, Daniel, Biggin, Philip C, Bonomi, Massimiliano, Bowman, Gregory R, Bryce, Richard, Bussi, Giovanni, Case, David, Cavalli, Andrea, Chang, Chie-En A, CheathamIII, Thomas E, Cheung, Margaret S, Chipot, Cris, Chong, Lillian T, Choudhary, Preeti, Cisneros, Gerardo Andres, Clementi, Cecilia, Collepardo-Guevara, Rosana, Coveney, Peter, Covino, Roberto, Crawford, T. Daniel, Peraro, Matteo Dal, de Groot, Bert, Delemotte, Lucie, De Vivo, Marco, Essex, Jonathan, Fraternali, Franca, Gelpí, Josep Lluís, Gervasio, Francesco Luigi, Gonzalez-Nilo, Fernando Danilo, Guzman, Horacio V, Harris, Sarah, Head-Gordon, Teresa, Hernandez, Rigoberto, Hospital, Adam, Huang, Niu, Huang, Xuhui, Iglesias-Fernández, Javier, Jensen, Jan H, Jha, Shantenu, Jiao, Wanting, Jorgensen, William L, Kamerlin, Shina Caroline Lynn, Khalid, Syma, Laughton, Charles, Levitt, Michael, Limongelli, Vittorio, Loverde, Sharon, Luo, Yun Lyna, Luque, Francisco Javier, MacKerell, Alexander, Magistrato, Alessandra, Marrink, Siewert J, McCammon, J. Andrew, Merz, Kenneth, Murad, Sohail, Naganathan, Athi N, Nangia, Shikha, Noy, Agnes, Oláh, Julianna, Ondrechen, Mary Jo, Onufriev, Alexey, Osuna, Silvia, Parish, Carol, Perez, Alberto, Perilla, Juan R, Pettitt, B. Montgomery, Pietropalo, Adriana, Poma, Adolfo, Praprotnik, Matej, Ren, Pengyu, Reuter, Nathalie, Roitberg, Adrian, Rosta, Edina, Rovira, Carme, Roux, Benoit, Röthlisberger, Ursula, Sanbonmatsu, Karissa Y, Schlick, Tamar, Shaytan, Alexey K, Simmerling, Carlos, Smith, Jeremy C, Sugita, Yuji, Świderek, Katarzyna, Taiji, Makoto, Tao, Peng, Tirado-Rives, Julian, Van Der Kamp, Marc W, Van der Spoel, David, Velankar, Sameer, Wade, Rebecca, Warshel, Ariel, Welborn, Valerie Vaissier, Wetmore, Stacey, Wong, Chung F, Yang, Lee-Wei, Zacharias, Martin

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Empirical Valence Bond Methods for Exploring Reaction Dynamics in the Gas Phase and in Solution von Harvey, Jeremy N, O'Connor, Michael, Glowacki, David R

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