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Research Interests

Papers共 222 篇Author StatisticsCo-AuthorSimilar Experts

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The Need to Implement FAIR Principles in Biomolecular Simulations
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
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Measuring Catalytic Mechanism Similarity - a New Approach to Study Enzyme Function and Evolution
Antonio J M Ribeiro, Ioannis G Riziotis, Neera Borkakoti, Pedro A Fernandes,Maria J Ramos, Janet M Thornton
The FEBS journal (2025)
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The Catalytic Mechanism of the Plastic-Degrading Enzyme Urethanase UMG-SP2
Pedro Paiva,Luís M. C. Teixeira,Ren Wei,Weidong Liu, Jens P. Morth,Peter Westh, Allan R. Petersen, Martin B. Johansen, Andreas Sommerfeldt, Alexander Sandahl, Daniel E. Otzen,Pedro A. Fernandes,Maria J. Ramos
crossref（2024）
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Structural and Functional Characterization of an Amidase Targeting a Polyurethane for Sustainable Recycling
Laura Rotilio,Thomas Bayer,Hannes Meinert,Luis M. C. Teixeira, Martin B. Johansen,Andreas Sommerfeldt, Allan R. Petersen, Alexander Sandahl,Malene B. Keller, Jesper Holck,Pedro Paiva, Daniel E. Otzen,Uwe T. Bornscheuer,Ren Wei,Pedro A. Fernandes,Maria J. Ramos,Peter Westh, J. Preben Morth
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2024)
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Venomous Peptides: Molecular Origin of the Toxicity of Snake Venom PLA2-like Peptides
JoaoT. S. Coimbra, Antoine Gissler, Emiel Nitor, Kiana Rostamipour,Ana V. Cunha,Maria J. Ramos,Pedro A. Fernandes
JACS AUno. 11 (2024): 4295-4306
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