Gianni De Fabritiis
Instituciò Catalana de Recerca i Estudis Avancats
56 papers found
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Optimized Potential of Mean Force Calculations for Standard Binding Free Energies
UploadSwan: A tool for porting CUDA programs to OpenCL
Download from www.researchgate.netCapturing the Initial Autocatalytic Maturation Mechanism of HIV-1 protease at Atomic Resolution
Download from doi.orgExplicit solvent dynamics and energetics of HIV-1 protease flap opening and closing
UploadInduced Effects of Sodium Ions on Dopaminergic G-Protein Coupled Receptors
Download from doi.orgStatistical Analysis of Global Connectivity and Activity Distributions in Cellular Networks
Download from arxiv.orgHigh-Throughput All-Atom Molecular Dynamics Simulations Using Distributed Computing
Download from www.researchgate.netAn Implementation of the Smooth Particle Mesh Ewald Method on GPU Hardware
Download from www.researchgate.netACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale
Download from arxiv.orgAmyloid-dependent triosephosphate isomerase nitrotyrosination induces glycation and tau fibrillation
Download from academic.oup.comAccuracy of the lattice-Boltzmann method using the Cell processor
UploadThe impact of accelerator processors for high-throughput molecular modeling and simulation
Download from www.researchgate.netEnergetics of K+ permeability through Gramicidin A by forward-reverse steered molecular dynamics
Download from www.researchgate.netInsights from the energetics of water binding at the domain-ligand interface of the Src SH2 domain
Download from www.researchgate.netEmbedding molecular dynamics within fluctuating hydrodynamics in multiscale simulations of liquids
Download from www.researchgate.netA coupled molecular-continuum hybrid model for the simulation of macromolecular dynamics
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