基本信息
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Bio
My professional activity is focused on theoretical studies of biomolecular systems. In particular simulations are based on molecular dynamic calculation using hybrid quantum mechanics/molecular mechanics (QM/MM) potentials. This methodology allows providing results which can be experimentally measured such as Gibbs free energy barriers, binding free energies, kinetic and binding isotope effects (KIE and BIE), etc... of enzymatic systems.
Research Interests
Papers共 92 篇Author StatisticsCo-AuthorSimilar Experts
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WIREs Computational Molecular Scienceno. 1 (2025)
Rommie E Amaro,Johan Åqvist,Ivet Bahar,Federica Battistini, Adam Bellaiche,Daniel Beltran,Philip C Biggin,Massimiliano Bonomi,Gregory R Bowman,Richard A Bryce,Giovanni Bussi,Paolo Carloni,David A Case,Andrea Cavalli,Chia-En A Chang,Thomas E Cheatham,Margaret S Cheung,Christophe Chipot,Lillian T Chong, Preeti Choudhary,G Andres Cisneros,Cecilia Clementi,Rosana Collepardo-Guevara,Peter Coveney,Roberto Covino,T Daniel Crawford,Matteo Dal Peraro,Bert L de Groot,Lucie Delemotte,Marco De Vivo,Jonathan W Essex,Franca Fraternali,Jiali Gao,Josep Ll Gelpí,Francesco L Gervasio,Fernando D González-Nilo, Helmut Grubmüller, Marina G Guenza,Horacio V Guzman,Sarah Harris,Teresa Head-Gordon,Rigoberto Hernandez,Adam Hospital,Niu Huang,Xuhui Huang,Gerhard Hummer,Javier Iglesias-Fernández,Jan H Jensen,Shantenu Jha,Wanting Jiao,William L Jorgensen,Shina C L Kamerlin,Syma Khalid,Charles Laughton,Michael Levitt,Vittorio Limongelli,Erik Lindahl,Kresten Lindorff-Larsen, Sharon Loverde,Magnus Lundborg, Yun L Luo,F Javier Luque, Charlotte I Lynch,Alexander D MacKerell,Alessandra Magistrato,Siewert J Marrink, Hugh Martin,J Andrew McCammon,Kenneth Merz,Vicent Moliner,Adrian J Mulholland, Sohail Murad,Athi N Naganathan,Shikha Nangia,Frank Noe,Agnes Noy,Julianna Oláh,Megan L O'Mara,Mary Jo Ondrechen,Jose N Onuchic,Alexey Onufriev,Sílvia Osuna,Giulia Palermo,Anna R Panchenko,Sergio Pantano, Carol Parish,Michele Parrinello,Alberto Perez,Tomas Perez-Acle,Juan R Perilla,B Montgomery Pettitt,Adriana Pietropaolo,Jean-Philip Piquemal, Adolfo B Poma,Matej Praprotnik,Maria J Ramos,Pengyu Ren,Nathalie Reuter,Adrian Roitberg,Edina Rosta, Carme Rovira,Benoit Roux,Ursula Rothlisberger,Karissa Y Sanbonmatsu,Tamar Schlick,Alexey K Shaytan,Carlos Simmerling,Jeremy C Smith,Yuji Sugita,Katarzyna Świderek,Makoto Taiji,Peng Tao,D Peter Tieleman,Irina G Tikhonova,Julian Tirado-Rives,Iñaki Tuñón,Marc W van der Kamp,David van der Spoel,Sameer Velankar,Gregory A Voth,Rebecca Wade, Ariel Warshel,Valerie Vaissier Welborn,Stacey D Wetmore,Travis J Wheeler,Chung F Wong,Lee-Wei Yang,Martin Zacharias,Modesto Orozco
Nature methodsno. 4 (2025): 641-645
Lorenzo Casalino, Carlos A Ramos-Guzmán,Rommie E Amaro,Carlos Simmerling,Alessio Lodola,Adrian J Mulholland,Katarzyna Świderek,Vicent Moliner
The journal of physical chemistry lettersno. 13 (2025): 3249-3263
Thomas L. Williams, Irshad M. Taily, Lewis Hatton,Andrey A. Berezin,Yi-Lin Wu,Vicent Moliner,Katarzyna Swiderek,Yu-Hsuan Tsai,Louis Y. P. Luk
Angewandte Chemieno. 22 (2024)
Francisco J. Medrano,Sergio de la Hoz-Rodríguez,Sergio Martí,Kemel Arafet,Tanja Schirmeister,Stefan J. Hammerschmidt,Christin Müller,Águeda González-Martínez,Elena Santillana,John Ziebuhr,Antonio Romero,Collin Zimmer, Annabelle Weldert,Robert Zimmermann,Alessio Lodola,Katarzyna Świderek,Vicent Moliner,Florenci V. González
ChemMedChemno. 22 (2024): e202400545-e202400545
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Author Statistics
#Papers: 92
#Citation: 1681
H-Index: 26
G-Index: 36
Sociability: 6
Diversity: 3
Activity: 61
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