NIH Resource for Macromolecular Modeling & Visualization University of Illinois at Urbana-Champaign
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Past Announcements

    2020
    • NAMD and VMD part of the team winning the ACM COVID-19 Gordon Bell Prize for 2020
    • The Coronavirus Unveiled, VMD visualizations of SARS-CoV-2, NYT, 2020
    • VMD + NVIDIA Ommniverse Folding @ Home Coronavirus Movie, NVIDIA, 2020
    • Scalable Analysis of Authentic Viral Envelopes on FRONTERA, CiSE, 2020
    • Scalable molecular dynamics on CPU and GPU architectures with NAMD, JCP, 2020
    • VMD test builds for MacOS X 10.15 "Catalina" (April 24, 2020)
    2019
    • Atoms to Phenotypes: Molecular Design Principles of Cellular Energy Metabolism, Cell, 2019
    • An Accessible Visual Narrative for the Primary Energy Source of Life from the Fulldome Show Birth of Planet Earth: Movie | Paper
    • High-Performance Analysis of Biomolecular Containers to Measure Small-Molecule Transport, Transbilayer Lipid Diffusion, and Protein Cavities, JCIM, 2019
    • Birth of Planet Earth excerpt created using VMD selected for Siggraph Electronic Theater, Siggraph 2019
    • 19,200 human protein structures visualized with VMD, Kresten Lindorff-Larsen
    • NanoShaper-VMD interface: computing and visualizing surfaces, pockets and channels in molecular systems, Bioinformatics, 2019
    2018
    • Best Practices in Running Collaborative GPU Hackathons, CiSE, 2018
    • NAMD goes quantum: an integrative suite for hybrid simulations, Nature Methods, 2018
    2017
    • J. Physical Chemistry B, Klaus Schulten Memorial Issue, 2017
    • Challenges of Integrating Stochastic Dynamics and Cryo-electron Tomograms in Whole-cell Simulations, JPCB 2017
    2016
    • GPU-Accelerated Molecular Dynamics Clustering Analysis with OpenACC, Parallel Programming with OpenACC, 2016
    • QwikMD - Integrative Molecular Dynamics Toolkit for Novices and Experts, Scientific Reports 2016
    • Molecular dynamics-based model refinement and validation for sub-5Å cryo-electron microscopy maps, eLife 2016
    • Early Experiences Porting the NAMD and VMD Molecular Simulation and Analysis Software to GPU-Accelerated OpenPOWER Platforms, LNCS 2016
    • Immersive Molecular Visualization with Omnidirectional Stereoscopic Ray Tracing and Remote Rendering, HPDAV 2016
    • TopoGromacs: Automated Topology Conversion from CHARMM to GROMACS within VMD, JCIM 2016
    • High Performance Molecular Visualization: In-Situ and Parallel Rendering with EGL, HPDAV 2016
    • Evaluation of Emerging Energy-Efficient Heterogeneous Computing Platforms for Biomolecular and Cellular Simulation Workloads, HCW 2016
    • Atomic Detail Visualization of Photosynthetic Membranes with GPU-Accelerated Ray Tracing, J. Par. Comp. 2016
    2015
    • Chemical Visualization of Human Pathogens: the Retroviral Capsids, Finalist, SC'15 Visualization and Data Analytics Showcase
    • VMD and NAMD at Supercomputing 2015
    • VMD 1.9.2 video tutorial on making images for publication (YouTube)
    • Multilevel Summation Method for Electrostatic Force Evaluation, JCTC 2015
    • Updated Gromacs plugins for VMD 1.9.2
    • HPC's Future Lies in Remote Visualization (Inside HPC)
    2014
    • Visualization of Energy Conversion Processes in a Light Harvesting Organelle at Atomic Detail, Winner SC'14 Visualization and Data Analytics Showcase
    • Petascale Tcl with NAMD, VMD, and Swift/T
    • VMD 1.9.2 beta 1 posted for download
    • Optimizing VMD on GPU-accelerated ARM platforms
    • GPU-Accelerated Analysis and Visualization of Large Structures Solved by Molecular Dynamics Flexible Fitting, FD169, 2014.
    • Methodologies for the Analysis of Instantaneous Lipid Diffusion in MD Simulations of Large Membrane Systems, FD169, 2014.
    • Webinar: GPU-Supercharged Molecular Visualization / Analysis with VMD
    • 2014 VMD Calendar
    2013
    • GPU-accelerated molecular visualization on petascale supercomputing platforms, UltraVis'13
    • Early Experiences Scaling VMD Molecular Visualization and Analysis Jobs on Blue Waters, Proc. XSCALE, 2013.
    • Force Field Toolkit (FFTK) tutorial screencasts
    • Rapid parameterization of small molecules using ffTK, JCC, 2013.
    • Most cited since 2008: "GPU-Accelerated Molecular Modeling Coming of Age"
    • Lattice microbes: High-performance stochastic simulation method for the reaction-diffusion master equation, J. Comp. Chem, 2013.
    • Workshop on GPU Programming for Molecular Modeling, August 2-4, 2013.
    • VMD QuickSurf rendering of HIV-1 capsid on cover of Nature 497 (7451), 2013.
    • VMD used for model building, preparation, and analysis of 64M-atom HIV-1 NAMD simulation on Blue Waters.
    • Lattice microbes: High-performance stochastic simulation method for the reaction-diffusion master equation, J. Comp. Chem. 2013
    • Visualization: A Cognition Amplifier, VMD Quantum Chemistry Visualization Tutorial, IJQC, 2013.
    2012
    • Fast Visualization of Gaussian Density Surfaces for Molecular Dynamics and Particle System Trajectories, EuroVis 2012
    • Force Field Toolkit (FFTK) tutorial screencasts
    • 2012 VMD Calendar
    • 2012 Hands-on Computational Biophysics Workshop
    2011
    • 2011 VMD User Survey Report
    • Immersive out-of-core visualization of large-size and long-timescale molecular dynamics trajectories, LNCS, 2011
    • VMD 1.9 released for MacOS X, Unix, and Windows (March 2011)
    • Fast Analysis of Molecular Dynamics Trajectories with Graphics Processing Units — Radial Distribution Function Histogramming, J. Comp. Phys, 2011
    • Setting up a simple stereo system
    • 2011 VMD Calendar
    2010
    • Illinois Researcher Named 2010 CUDA Fellow by NVIDIA
    • Immersive Molecular Visualization and Interactive Modeling with Commodity Hardware, ISVC 2010
    • SC2010 Tutorial S03: High Performance Computing with CUDA
    • John Stone named NVIDIA CUDA Fellow
    • GPU-Accelerated Molecular Modeling Coming of Age, JMGM, 2010
    • Workshop: GPU Programming for Molecular Modeling, August 6-8, 2010
    • Quantifying the Impact of GPUs on Performance and Energy Efficiency in HPC Clusters Proceedings ICGC, pp. 317-324, 2010.
    • Molecular modeling community at gpucomputing.net
    • VMD included in Tesla Bio Workbench portal
    • Organic chemistry text book cover made with VMD
    • OpenCL: A Parallel Programming Standard for Heterogeneous Computing Systems. CiSE, 12(3):66-73, 2010.
    2009
    • VMD and NAMD CUDA/OpenCL talks at SC2009 part of Parallel@Illinois
    • Investigating Interfaces of Macro-Molecular Complexes with Intervor
    • Probing Biomolecular Machines with Graphics Processors, CACM, 2009.
    • VMD QuicktimeVR/Flash rendering of PDB structures
    • VMD 1.8.7 released for MacOS X, Unix, and Windows (August 2009)
    • GPU Clusters for High Performance Computing., IEEE CLUSTER 2009.
    • Visualisation of Cyclic and Multi-Branched Molecules with VMD, JMGM, 2009
    • VMD/Tachyon ambient occlusion lighting tutorial updated for VMD 1.8.7 (June 2009)
    • Outline shading tutorial updated for VMD 1.8.7 (June 2009)
    • High performance computation and interactive display of molecular orbitals on GPUs and multi-core CPUs, ACM GPGPU-2, 2009
    • Multilevel summation of electrostatic potentials using graphics processing units, Journal of Parallel Computing, 2009
    • 2009 VMD Calendar
    2008
    • VMD/NAMD at SC2008 conference, Nov 15-21, 2008
    • NVIDIA Appoints First CUDA Center of Excellence
    • Using VMD - an introductory tutorial Current Protocols - Bioinformatics, 5:Unit 5.7, 2008.
    • Membrane Structural Biology book cover made with VMD
    • GPU accelerated cutoff pair potentials, ACM Computing Frontiers, pp. 273-282, 2008
    • GPU Computing paper, Proceedings of the IEEE, 96:879-899, 2008
    2007
    • SC2007 CUDA tutorial course notes (VMD/NAMD case studies)
    • VMD/NAMD demonstrations at Supercomputing 2007 (Nov 2007)
    • SC'07 Tutorial: "High Performance Computing on GPUs with CUDA"
    • J. Comp. Chemistry cover image made with VMD
    • GPU-accelerated molecular modeling paper, J. Comp. Chem, 28:2618-2640, 2007
    • Talk: CUDA Performance Case Studies (Oct 2007)
    • Nature Biotechnology cover image made with VMD (Jul 2007)
    • VMD 1.8.6 (MacOS-X, Unix, Windows) (Apr 2007)
    • VMD outline rendering style inspired by the work of David S. Goodsell (Apr 2007)
    • Create 3-D PDFs with VMD and Acrobat3D (Feb 2007)
    • Advanced VMD/Tachyon figure rendering (Feb 2007)
    • VMD Images and Movies Tutorial (Jan 2007)
    2006
    • MultiSeq paper in BMC Bioinformatics (Aug 16 2006)
    • VMD images in NSF Advanced Computer Simulation Screen Saver
    • VMD image exhibited, Denver Museum of Nature and Science (Competition)
    • Plugin update 1 released for VMD 1.8.5
    • 2006 VMD User Survey Report completed
    • VMD 1.8.5 Released
    • VMD 1.8.4 Released
    • CatDCD trajectory processor version 4.0 released
    • Plugin update 3 released for VMD 1.8.3
    2005
    • VMD image "highly commended" in Concepts category of the 2005 Visions of Science Photographic Awards
    • Plugin update 2 released for VMD 1.8.3
    • PSC Workshop: Modeling Proteins and Nucleic Acids with Amber, VMD and the MMTSB Toolkit, June 2005
    • Plugin update 1 released for VMD 1.8.3
    • Computational Biophysics Workshops workshops in Lake Tahoe , Chicago, and San Francisco, May-June 2005.
    2004
    • VMD image wins Illustration category of NSF 2004 Science and Engineering Visualization Challenge
    • Updated plugins for VMD 1.8.2
    2003
    • VMD 1.8.2 (MacOS-X, Unix, Windows)
    • VMD 1.8.1 at Supercomputing 2003
    • 2003 VMD User Survey Results
    • VMD 1.8.1 (MacOS-X, Unix, Windows)
    • VMD 1.8.1 at 2003 Summer School on Theoretical Biophysics
    2002
    • VMD 1.8 at Supercomputing 2002 November 18-21, 2002
    • VMD 1.8 at Siggraph 2002 July 23-25, 2002
    • VMD 1.7.2 (Windows GUI update) released (02/06/2002)
    2001
    • VMD 1.7.1 (MacOS-X, Unix, and Windows) released (12/23/2001)
    • VMD and NAMD were demonstrated with Sun Microsystems and NCSA at Supercomputing 2001, November 12-15, 2001
    • VMD 1.7 reviewed at BioMedNet (9/14/2001)
    • VMD 1.7 demo mentioned in the September 2001 CAD Report
    • VMD, NAMD, JMV, and BioCoRE were demonstrated with Sun Microsystems at Siggraph 2001, August 14-16, 2001
    • VMD 1.7 (MacOS-X, Unix, and Windows) released (8/1/2001)
    • VMD cover image on Biophysical Journal. See the accompanying article for more VMD images. (5/2001)
    • VMD 1.6.1 (MacOS-X, Windows, and Unix) released (4/22/2001)
    • A System for Interactive Molecular Dynamics Simulation - Presented at Siggraph I3D 2001 (3/21/2001)
    • Molecular Modeling in the Genomics Era - VMD included in The Scientist article (03/05/2001)
    • Structural Biology Software Database Released (01/04/2001)
    • VMD: a graphical tool for the modern chemist - J. Comp. Chem., Volume 22, Issue 1, 2001 (VMD 1.4) (12/6/2000)
    2000
    • VMD 1.6 (Windows and Unix) is available (12/22/2000)
    • MDTools: scripts and utilities for MD related work (11/16/2000)
    • 2000 VMD User Survey Report (11/12/2000)
    • Molecular Visualization for the Masses - VMD listed in BioMedNet article (11/10/2000)
    • BioCoRE/NAMD/VMD article in the Chronicle of Higher Education(6/28/2000)
    • VMD 1.5 (Windows and Unix) released (6/28/2000)
    • A Grand Vision: Visual and Steered Molecular Dynamics(6/17/2000)
    • VMD 1.4 (Windows and Unix) released (1/7/2000)
    1999
    • "Molecular Vision" - Article about VMD, Computer Graphics World (May 1999)
    • VMD 1.3 (Unix) released (4/5/1999)
    1998
    • VMD 1.2 (Unix) released (8/1/1998)
    1996
    • VMD 1.1 (Unix) released (5/15/1996)
    1995
    • VMD 1.0 (Unix) released. (7/1/1995)

Funded by a grant from
the National Institute of
General Medical Sciences
of the National Institutes
of Health
Beckman Institute for Advanced Science and Technology // National Institutes of Health // National Science Foundation // Physics, Computer Science, and Biophysics at University of Illinois at Urbana-Champaign
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