Skip to main content
2023-2027
Research Excellence
Staff
FAQs
Contact Us
English
Català
Castellano
Web Content
Staff
Filter by Department
CASE
CASE - Data Pre&Post Processing
CASE - Dual Technologies
CASE - Fusion
CASE - Geometry and Meshing for simulations
CASE - High Performance Computational Mechanics
CASE - Large-scale Computational Fluid Dynamics
CASE - Material Sciences
CASE - Natural Hazards and Risk Analysis
CASE - Physical and Numerical Modelling
CASE - Propulsion Technologies Group
CASE - Quantic
CASE - Smart Cities
CASE - Wave Phenomena Group
Computational
Computer Sciences
Computer Sciences - Accelerators and Communications for High Performance Computing
Computer Sciences - Accelerators and Communications for HighPerformance Computing
Computer Sciences - Artificial Intelligence Research
Computer Sciences - Best Practices for Performance and Programmability
Computer Sciences - Compilers and Toolchains for HPC
Computer Sciences - Computer Architecture for Parallel Paradigms
Computer Sciences - CORE
Computer Sciences - Data Centric Computing
Computer Sciences - Data-driven Scientific Computing
Computer Sciences - Distributed Object Management
Computer Sciences - European Exascale Accelerator
Computer Sciences - FPGA Technologies
Computer Sciences - High Performance Artificial Intelligence
Computer Sciences - High Performance Domain-Specific Architectures
Computer Sciences - HPC Modeling and Simulation for Social Sciences
Computer Sciences - Integration
Computer Sciences - Memory technologies
Computer Sciences - Microarchitecture Design and Implementation
Computer Sciences - Microserver architectures and system software
Computer Sciences - Mobile and embedded-based HPC
Computer Sciences - Operating System / Computer Architecture Interface
Computer Sciences - Operating System / Computer ArchitectureInterface
Computer Sciences - Performance Tools
Computer Sciences - Predictable Parallel Computing
Computer Sciences - Programming Models
Computer Sciences - Runtime Aware Architecture
Computer Sciences - SIM: Simulation Infrastructure and Methodologies
Computer Sciences - SOftware research and development vehicles for New ARchitectures (SONAR)
Computer Sciences - Storage Systems
Computer Sciences - Synthesis and Physical design of ICs
Computer Sciences - System software for energy management in HPC
Computer Sciences - System Tools and Advanced Runtimes
Computer Sciences - Technical Management HW Engineering
Computer Sciences - UNCORE Cache hierarchy and interconnects
Computer Sciences - Validation
Computer Sciences - VPU
Computer Sciences - Wave Phenomena Group
Computer Sciences - Workflows and Distributed Computing
Directors
Directors - Computational Social Sciences
Directors Office
Directors Office - Education And Training
Directors Office - European Relations
Directors Office - Research Fellow
Earth Sciences
Earth Sciences - Aerosols, Dust and Climate
Earth Sciences - Air Quality Services ES group
Earth Sciences - Atmospheric Chemistry and Air Quality
Earth Sciences - Atmospheric Composition Group
Earth Sciences - Climate Services ES group
Earth Sciences - Climate Variability and Change
Earth Sciences - Data, Assimilation, Forecasting and Applications
Earth Sciences - Earth Data and Diagnostics
Earth Sciences - Earth Models and Workflows
Earth Sciences - Earth System Services Group
Earth Sciences - Emissions
Earth Sciences - Global Health Resilience
Earth Sciences - High Performance Computing for Earth Sciences
Earth Sciences - Knowledge Integration ES group
Extern - Extern people by Special Petition
Innovation and Business Development
Innovation and Business Development - Technology Transfer Office
InnovationBD - Technology Transfer Office
Institutional - Education And Training
Life Sciences
Life Sciences - Bioinformatics Coordination Unit
Life Sciences - Comparative Genomics
Life Sciences - Computational Biology Life Sciences Group
Life Sciences - Computational Genomics
Life Sciences - Electronic and Atomic Protein Modelling
Life Sciences - Genome Informatics
Life Sciences - INB
Life Sciences - INB Computational Node 2
Life Sciences - Integrative Computational Network Biology
Life Sciences - Language Technologies
Life Sciences - Life Sciences Scientific Coordination unit
Life Sciences - Machine Learning for Biomedical Research
Life Sciences - Molecular Modelling and Bioinformatics
Life Sciences - NLP for Biomedical Information Analysis
Life Sciences - Social Link Analytics Life Sciences Group
Life Sciences - Transcriptomics and Functional Genomics Lab
Management
Management - Administration and Finances
Management - Communication
Management - Finance and Accounting
Management - Finance Projects
Management - Human Resources Area
Management - Information System and Services
Management - Legal
Operations
Operations - Data Management
Operations - Facility Management
Operations - Facility Management - Facility Management
Operations - Infrastructure Access Policy Unit
Operations - System Administration
Operations - User Support
Project Management, Innovation & Dissemination
Project Management, Innovation & Dissemination - Dissemination
Project Management, Innovation & Dissemination - Project Innovation Management Unit
Project Management, Innovation & Dissemination - Project Management Office
ResearchSupport - Dissemination
ResearchSupport - Project Management Office
Research
Research Group / Area
Ab-Initio Electronic Structure Methods
Advanced docking strategies
Aerosol data assimilation
Aerosol-radiation-cloud interactions
Agent-Based Models
Agriculture and water management services
AI Experts
Air quality
Algorithms for genomics data compression
Alya - High Performance Computational Mechanics
Application optimization for GPU acceleration
Applied Learning Methods
Art+Science driven innovation
Atlantic Variability and Predictability
Atmospheric Impact Services
Bias development mechanisms
Big Data Frameworks
Biological data integration and management
Blockchain Scalability and Sustainability
BSIT: Barcelona Subsurface Imaging Tools
Cancer genomics
Cardiovascular system simulations
Climate Model Initialization and Data Assimilation
Combustion
Computational Earth Services
Computational Fluid Mechanics - Compressible Flows
Computational fluid mechanics - Incompressible flows
Computational infrastructures for biomolecular research
Computational Modeling for Fusion
Computational solid mechanics
COTS multicore real-time systems
Cultural Evolution
Curricula Development and Quality Assurance in Higher Education and Professional Training
Cyber-Physical Computing Systems
Data and Diagnostics Team
Data Placement for Heterogeneous Memory Systems
Data-Center Optimization
Data-Centric Architectures
Data-Driven Scientific Computing
Deep-Learning and HPC
Dependable and power-efficient real-time systems
Distributed Computing Library
Distributed Object Management
DLB: Dynamic Load Balancing
Docking for interactomics and personalized medicine
Domain Specific Languages
Dynamic resource management in HPC
Earthquake Simulation
eDrug: interactive drug design
Electromagnetic Modeling and Inversion
Electronic transport
Emission modelling
Energy efficiency management for Data Centers
Energy-aware and Virtualisation Technologies
Enzymatic Catalysis and Protein Engineering
EUDAT
Forecast quality assessment of seasonal-to-decadal predictions
Functional consequences of genetics variants
Generic Lightweight Threads
Genetics of Complex Diseases
Hardware Support for Big Data
High performance storage for interactive Big Data analysis
High Programming Productivity for Accelerators
High-performance IO and storage
HPC Frameworks
HPC Geophysical Applications
HPC Software Optimization
HPC Workflows
Improving Virtual Memory
Industrial artificial intelligence and digital twins
Insurance Services
Integration of Programming Models and Persistent Storage Systems
Interactive data visualization
Internet of Things and Stream Processing
Inverse Modelling
Land-atmosphere coupling and predictability
Learning Analytics
Linear Algebra and Math Libraries
MareNostrum
Memory hierarchy for GPU acceleration
Memory systems for HPC
Mesh generation and adaptivity
Message Passing Interface (MPI)
Microscale wind simulations and wind resource assessment
Microserver architectures and system software
Mineral dust - AXA Chair on Sand and Dust Storms
Mobile and embedded-based HPC
Models and Workflows Team
Multiphysics
Natural & Social Hazards (NaSH)
Network Biology
Neural networks for data-streams
New approaches to the prediction of protein structure and interactions
NoSQL technologies applied to Life Sciences
Numerical Methods
Ocean Biogeochemistry and Climate Feedbacks
Ocean forecasting
OpenMP Extensions
PELE: Monte Carlo methods for protein/DNA-ligand interactions
Performance Analytics
Performance Team
Personalized Medicine Initiative
Policy analysis
PRACE
Predictable Parallel Computing
Preemptive multiprogramming on GPUs
Probabilistic Real Time Systems
Provenance, Metadata and Reproducibility
Quantum Algorithms
Reduced Order Methods in HPC
RES
Resilient architecture and runtimes
Respiratory system
Runtime aware architectures
Scientific and Social impact
Scientific Visualization and storytelling
Sea Ice Variability, Prediction and Impacts
Seasonal prediction and attribution of extreme events
Seismic hazard, seismic vulnerability and seismic risk
Smart and resilient cities
Software development for protein-protein interactions
SOftware research and development vehicles for New ARchitectures (SONAR)
Solar energy services
Supercomputing for Artificial Intelligence
Teaching Methodologies for Technology Rich Environments
Tensor Networks
The OmpSs Programming Model
Time-predictable parallel programming models
Towards complex and intelligent workflow programming for Distributed Computing
Tropical Cyclones
Troposphere-stratosphere coupling
Urban air quality modelling
Urban Data Science
Urban-scale Atmospheric Dispersal Modeling
Volcanic ash
Wind energy services
Workflow environments for Scientific Applications
Discover BSC
The Centre
What we do
BSC-CNS in Numbers
History
Mission and Values
Annual Summaries
MareNostrum
PRACE
Organisation
Governance Boards
Research Departments
Support Structure
Equity, Diversity & Inclusion
Gender Equity Plan (GEP)
Programmes for the promotion of women
Measures against gender-based violence
Gendered Innovations
Reconciling work and family life
Diversity & Inclusion
Research Excellence
Severo Ochoa
Severo Ochoa Research Seminars
ERC and ICREA
Shaping the Future of HPC
Computing with you
Visit our supercomputer
Female-focused tours for primary schools
Science & Culture
SuperGeek
Courses and materials for schools
We are young women researchers
Bojos per la supercomputació
Multimedia Gallery
Pictures
Brand & Logo
Public Tenders
Open to apply
Awarding in process
Formalized
Announcements
Transparency
BSC Folks
face-to-face
visit
virtual
visit
Research & Development
Research Areas
Atmospheric Composition
Big Data
Bioinformatics
Biomechanics
Climate Prediction
Cloud Computing
Cognitive Computing
Computational Earth Sciences
Computer Architecture and Codesign
Distributed Computing
Education
Engineering Simulations
Fusion
Genomics
Geophysics
HPC Software Engineering
Materials Science
Molecular Modeling
Operations Infrastructure
Performance Analysis
Programming Models
Quantum Information
Social Simulation
People
Research Departments
Computer Sciences
Life Sciences
Earth Sciences
Computer Applications in Science & Engineering
Projects
Publications
Annual Summaries
Technical Reports
Portfolio
Patent Portfolio
Software & Hardware
Research Seminars
Past Research Seminars
Conferences
Software & Hardware
Publications
MareNostrum
MareNostrum
Technical Information
User Documentation
Visits
MinoTauro
Active Archive
StarLife
Access to Supercomputing Resources
Access to RES
Available HPC Software
Access to Eduroam
Available HPC Software
BSCTech Hackathons
PATC Courses
RES Courses
Tech Transfer
Discover Supercomputing
Application Areas
How to collaborate with us
Portfolio
Patent Portfolio
Software & Hardware
Services
Air Quality
Climate
Mineral Dust
Computational Genomics
HPC Performance Analysis and Optimization
Collaboration with Companies
Spin-Offs and Entrepreneurship
Spin-Offs
Entrepreneurship at BSC
Spin-Offs
Join Us
Fellowships
Undergraduate
Master
Predoctoral (PhD)
Postdoctoral
Other
Scholarships
Job Opportunities
Excellence Career Opportunities
HR Initiatives & Badges
Why to work at BSC
Recruitment Process
Mobility Programmes
Life in Barcelona
FAQ's
Join the community!
Education
Training
BSC Training
Past BSC Training
RES Courses
Past RES Courses
CUDA Training
Past CUDA Training
Other Training
Past Other Training
Predoctoral (PhD)
PhD Programmes
Professional Training
Mobility Programmes
Doctoral Symposium
Bioinfo4Women
Women in Computer Sciences
Equity4CASE
Equity4ES
Graduate
Master's Programme
Internships
Testimonials & Awards
Seasonal Schools
Workshops
Past Workshops
Life in Barcelona
News
BSC News
News content
Events
BSC in the Media
Newsletter
Annual Summaries
Multimedia Gallery
Branding, Identity & Logo
You are here
Home
/
Research & Development
/
Publications
/
Mapping Complex Electron transfer in Proteins by Computational Tools
Mapping Complex Electron transfer in Proteins by Computational Tools
National Conferences
2013
Authors:
Guallar, Victor
Place Published:
Santander
