재정 지원 요구사항을 통해 공개된 자료 - Valerio Rizzi자세히 알아보기
제공된 곳이 있음: 16
Data-driven collective variables for enhanced sampling
L Bonati, V Rizzi, M Parrinello
The Journal of Physical Chemistry Letters 11 (8), 2998-3004, 2020
재정 지원 요구사항 정책: Swiss National Science Foundation
The role of water in host-guest interaction
V Rizzi, L Bonati, N Ansari, M Parrinello
Nature Communications 12 (1), 93, 2021
재정 지원 요구사항 정책: Swiss National Science Foundation, European Commission
Path integral molecular dynamics for bosons
B Hirshberg, V Rizzi, M Parrinello
Proceedings of the National Academy of Sciences 116 (43), 21445-21449, 2019
재정 지원 요구사항 정책: European Commission
Rare event kinetics from adaptive bias enhanced sampling
D Ray, N Ansari, V Rizzi, M Invernizzi, M Parrinello
Journal of Chemical Theory and Computation 18 (11), 6500-6509, 2022
재정 지원 요구사항 정책: Swiss National Science Foundation
The onset of dehydrogenation in solid ammonia borane: An ab initio metadynamics study
V Rizzi, D Polino, E Sicilia, N Russo, M Parrinello
Angewandte Chemie International Edition 58 (12), 3976-3980, 2019
재정 지원 요구사항 정책: Swiss National Science Foundation, European Commission
Electron-phonon thermalization in a scalable method for real-time quantum dynamics
V Rizzi, TN Todorov, JJ Kohanoff, AA Correa
Physical Review B 93 (2), 024306, 2016
재정 지원 요구사항 정책: US Department of Energy
Collective variables for the study of crystallisation
T Karmakar, M Invernizzi, V Rizzi, M Parrinello
Molecular Physics 119 (19-20), e1893848, 2021
재정 지원 요구사항 정책: Swiss National Science Foundation
Blind search for complex chemical pathways using harmonic linear discriminant analysis
V Rizzi, D Mendels, E Sicilia, M Parrinello
Journal of chemical theory and computation 15 (8), 4507-4515, 2019
재정 지원 요구사항 정책: Swiss National Science Foundation
OneOPES, a combined enhanced sampling method to rule them all
V Rizzi, S Aureli, N Ansari, FL Gervasio
Journal of Chemical Theory and Computation 19 (17), 5731–5742, 2023
재정 지원 요구사항 정책: Swiss National Science Foundation
Water-triggered, irreversible conformational change of SARS-CoV-2 main protease on passing from the solid state to aqueous solution
N Ansari, V Rizzi, P Carloni, M Parrinello
Journal of the American Chemical Society 143 (33), 12930-12934, 2021
재정 지원 요구사항 정책: Helmholtz Association
Deep learning path-like collective variable for enhanced sampling molecular dynamics
T Fröhlking, L Bonati, V Rizzi, FL Gervasio
The Journal of Chemical Physics 160 (17), 2024
재정 지원 요구사항 정책: Swiss National Science Foundation
Inelastic electron injection in a water chain
V Rizzi, TN Todorov, JJ Kohanoff
Scientific Reports 7 (1), 45410, 2017
재정 지원 요구사항 정책: UK Engineering and Physical Sciences Research Council
Cation chloride cotransporter NKCC1 operates through a rocking-bundle mechanism
MJ Ruiz Munevar, V Rizzi, C Portioli, P Vidossich, E Cao, M Parrinello, ...
Journal of the American Chemical Society 146 (1), 552-566, 2023
재정 지원 요구사항 정책: US National Institutes of Health, Fondazione Telethon, Italy, European …
Unexpected single-ligand occupancy and negative cooperativity in the SARS-CoV-2 Main protease
S Albani, E Costanzi, GL Hoang, M Kuzikov, M Frings, N Ansari, N Demitri, ...
Journal of Chemical Information and Modeling 64 (3), 892-904, 2023
재정 지원 요구사항 정책: Helmholtz Association
SWISH-X, an Expanded Approach to Detect Cryptic Pockets in Proteins and at Protein–Protein Interfaces
A Borsatto, E Gianquinto, V Rizzi, FL Gervasio
Journal of Chemical Theory and Computation 20 (8), 3335-3348, 2024
재정 지원 요구사항 정책: Swiss National Science Foundation
Addressing Suboptimal Poses in Nonequilibrium Alchemical Calculations
M Karrenbrock, V Rizzi, P Procacci, FL Gervasio
The Journal of Physical Chemistry B 128 (7), 1595-1605, 2024
재정 지원 요구사항 정책: Swiss National Science Foundation
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