Copertina

The need to implement FAIR principles in biomolecular simulations

Fuente: arXiv

Salvato in:

Dettagli Bibliografici
Autori principali:	Amaro, Rommie, Åqvist, Johan, Bahar, Ivet, Battistini, Federica, Bellaiche, Adam, Beltran, Daniel, Biggin, Philip C., Bonomi, Massimiliano, Bowman, Gregory R., Bryce, Richard, Bussi, Giovanni, Carloni, Paolo, Case, David, Cavalli, Andrea, Chang, Chie-En A., Cheatham III, 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, Gao, Jiali, Gelpí, Josep Lluís, Gervasio, Francesco Luigi, Gonzalez-Nilo, Fernando Danilo, Grubmüller, Helmut, Guenza, Marina, Guzman, Horacio V., Harris, Sarah, Head-Gordon, Teresa, Hernandez, Rigoberto, Hospital, Adam, Huang, Niu, Huang, Xuhui, Hummer, Gerhard, 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, Lindahl, Erik, Lindorff-Larsen, Kresten, Loverde, Sharon, Lundborg, Magnus, Luo, Yun Lyna, Luque, Francisco Javier, Lynch, Charlotte I., MacKerell, Alexander, Magistrato, Alessandra, Marrink, Siewert J., Martin, Hugh, McCammon, J. Andrew, Merz, Kenneth, Moliner, Vicent, Mulholland, Adrian, Murad, Sohail, Naganathan, Athi N., Nangia, Shikha, Noe, Frank, Noy, Agnes, Oláh, Julianna, O'Mara, Megan, Ondrechen, Mary Jo, Onuchic, José N., Onufriev, Alexey, Osuna, Silvia, Panchenko, Anna R., Pantano, Sergio, Parish, Carol, Parrinello, Michele, Perez, Alberto, Perez-Acle, Tomas, Perilla, Juan R., Pettitt, B. Montgomery, Pietropalo, Adriana, Piquemal, Jean-Philip, Poma, Adolfo, Praprotnik, Matej, Ramos, Maria J., 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, Tieleman, D. Peter, Tikhonova, Irina G., Tirado-Rives, Julian, Tunón, Inaki, Van Der Kamp, Marc W., Van der Spoel, David, Velankar, Sameer, Voth, Gregory A., Wade, Rebecca, Warshel, Ariel, Welborn, Valerie Vaissier, Wetmore, Stacey, Wheeler, Travis J., Wong, Chung F., Yang, Lee-Wei, Zacharias, Martin, Orozco, Modesto
Natura:	Preprint
Pubblicazione:	2024
Soggetti:	Biomolecules
Accesso online:	Acceder al recurso
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

Documenti analoghi

Non‐Covalent Molecular Interaction Rules to Define Internal Dimer Coordinates for Quantum Mechanical Potential Energy Scans
di: Suliman Sharif, et al.
Pubblicazione: (2025)

A Generalized Einstein Relation for Markovian Friction Coefficients from Molecular Trajectories
di: Hall, J. M., et al.
Pubblicazione: (2024)

Coarse-Grained Force Fields via Rotational Entropy Corrections to Free Energy Landscapes of Diffusing Molecules
di: Hall, J. M., et al.
Pubblicazione: (2025)

Cooperative polymer dynamics at the crossover between the unentangled and the entangled regimes: theoretical predictions of scattering and linear shear relaxation for polyethylene melts
di: Guenza, M. G.
Pubblicazione: (2024)

TEE is not a Healer: Rollback-Resistant Reliable Storage (Extended Version)
di: Keshavarzi, Sadegh, et al.
Pubblicazione: (2025)

Binding free energy analysis of galectin‐3 natural ligands and synthetic inhibitors
di: Luke Newman, et al.
Pubblicazione: (2025)

Identifying the leading dynamics of ubiquitin: a comparison between the tICA and the LE4PD slow fluctuations in amino acids' position
di: Beyerle, Eric, et al.
Pubblicazione: (2021)

Assessing the mechanism of fast‐cycling cancer‐associated mutations of Rac1 small Rho GTPase
di: Angela Parise, et al.
Pubblicazione: (2024)

Po river, Pontelagoscuro, mean daily water discharge, 2000-2001
di: Magistrato per il Po
Pubblicazione: (2003)

Mitigating product inhibition in 2′‐hydroxybiphenyl‐2‐sulfinate desulfinase (DszB) with synthetic glycosylation
di: Junbao Liang, et al.
Pubblicazione: (2025)

Reverse Faà di Bruno's Formula for Cartesian Reverse Differential Categories
di: Biggin, Aaron, et al.
Pubblicazione: (2025)

Third Metal Ion Dictates the Catalytic Activity of the Two‐Metal‐Ion Pre‐Ribosomal RNA‐Processing Machinery
di: Jure Borišek, et al.
Pubblicazione: (2024)

Third Metal Ion Dictates the Catalytic Activity of the Two‐Metal‐Ion Pre‐Ribosomal RNA‐Processing Machinery
di: Jure Borišek, et al.
Pubblicazione: (2024)

Steady-State Heating of Diffuse Coronal Plasma in a Solar Active Region
di: Fleishman, Gregory D., et al.
Pubblicazione: (2025)

Tight Bounds on Channel Reliability via Generalized Quorum Systems (Extended Version)
di: Naser-Pastoriza, Alejandro, et al.
Pubblicazione: (2025)

Optimal message passing for molecular prediction is simple, attentive and spatial
di: Castaneda-Leautaud, Alma C., et al.
Pubblicazione: (2025)

Gluing $\mathbb Z_2$-Harmonic Spinors and Seiberg-Witten Monopoles on 3-Manifolds
di: Parker, Gregory J.
Pubblicazione: (2024)

Deformations of $\mathbb Z_2$-Harmonic Spinors on 3-Manifolds
di: Parker, Gregory J.
Pubblicazione: (2023)

Soils of the past: n introduction to paleopedology / Gregory J. Retallack
di: Retallack, Gregory J

A new infinite class of $6d$, $\mathcal{N}=(1,0)$ supergravities
di: Loges, Gregory J.
Pubblicazione: (2024)

Relationships between High-Stakes Testing Policies and Student Achievement after Controlling for Demographic Factors in Aggregated Data
di: Gregory J. Marchant
Pubblicazione: (2006)

El Trastorno por Estrés Postraumático (Ptsd) de Larga Duración Como Resultado de la Cirugía Genital de Los Menores
di: Gregory J. Boyle
Pubblicazione: (2002)

El cuestionario de dolor de McGill (McGill Pain Questionnaire -MPQ) : consideraciones lingüísticas y estadísticas
di: Gregory J. Boyle
Pubblicazione: (2003)

LA PROPUESTA DE LA OCDE DE CARTELIZAR LAS TELECOMUNICACIONES EN MÉXICO
di: J. Gregory Sidak
Pubblicazione: (2013)

The Effect of Summer on Value-added Assessments of Teacher and School Performance
di: Gregory J. Palardy
Pubblicazione: (2015)

A note on the Lorentzian splitting theorem
di: Galloway, Gregory J.
Pubblicazione: (2025)

Maximum ingestion and maximum clearance rate of Acartia tonsa, Centropages hamatus and Eurytemora herdmani determined experimentall
di: Teegarden, Gregory J
Pubblicazione: (2014)

A Brief Evaluation of the Primary Eskimo Program (A Bilingual Education Program).
di: Trifonovitch, Gregory J.
Pubblicazione: (1976)

Psychodrama and the Self‐Determination Theory: Humanistic Approaches for Counselors Working With Civilian Survivors and Refugees of War
di: J. Claire Gregory
Pubblicazione: (2025)

You Win Some, You Lose Some
di: Gregory J. Cizek
Pubblicazione: (2024)

A short history of astropedology
di: Gregory J. Retallack
Pubblicazione: (2025)

The Relationship of High School Graduation Exams to Graduation Rates and SAT Scores
di: Gregory J. Marchant
Pubblicazione: (2005)

¡Politicemos siempre! o, la cultura como la política-qua-cultura
di: Gregory J. Lobo
Pubblicazione: (2002)

On dual regime in Yang-Baxter deformed $\mathrm{O}(2N)$ sigma models
di: Bychkov, Alexey, et al.
Pubblicazione: (2025)

lmfaoooo at SemEval-2026 Task 1: Humor Is an Audience. Preference Modeling for Constrained Humor Generation
di: Tikhonov, Alexey, et al.
Pubblicazione: (2026)

Kerr nonlinearity effect on the stability of Wannier-Stark states in active optical systems
di: Verbitskiy, Alexey, et al.
Pubblicazione: (2024)

Composition dependence of the critical Rayleigh number curve for macrosegregation in multicomponent metal alloys
di: Houghton, Owain S., et al.
Pubblicazione: (2026)

Monte Carlo tree search for dynamic shortest‐path interdiction
di: Alexey A. Bochkarev, et al.
Pubblicazione: (2024)

Tidal interactions in stellar and planetary systems
di: Barker, Adrian J.
Pubblicazione: (2025)

«Corazón de piedra»: escultura y poesía en el madrigal «Retrato de Lisi en mármol» de Quevedo
di: Adrián J. Sáez
Pubblicazione: (2018)