A GPU-accelerated immersive audio-visual framework for interaction with molecular dynamics using consumer depth sensors

Native States of Fast-Folding Proteins Are Kinetic Traps

(2013) Alex Dickson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Connectomic reconstruction of the inner plexiform layer in the mouse retina

(2013) Moritz Helmstaedter et al.   NATURE

Non-homologous end-joining partners in a helical dance: structural studies of XLF–XRCC4 interactions

(2012) Qian Wu et al.   BIOCHEMICAL SOCIETY TRANSACTIONS

State-of-the-art technology in modern computer-aided drug design

(2012) G. A. Dalkas et al.   BRIEFINGS IN BIOINFORMATICS

Haptic-driven applications to molecular modeling: state-of-the-art and perspectives

(2012) Antonio Ricci et al.   Future Medicinal Chemistry

Microsoft Kinect Sensor and Its Effect

(2012) Zhengyou Zhang   IEEE MULTIMEDIA

Real-time quantum chemistry

(2012) Moritz P. Haag et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Peptide kinetics from picoseconds to microseconds using boxed molecular dynamics: Power law rate coefficients in cyclisation reactions

(2012) Dmitrii V. Shalashilin et al.   JOURNAL OF CHEMICAL PHYSICS

OpenMM 4: A Reusable, Extensible, Hardware Independent Library for High Performance Molecular Simulation

(2012) Peter Eastman et al.   Journal of Chemical Theory and Computation

Single molecules filmed dancing on a table top

(2012) Misha Y. Ivanov   NATURE

Taking Ockham's razor to enzyme dynamics and catalysis

(2012) David R. Glowacki et al.   Nature Chemistry

Decoding the energy landscape: extracting structure, dynamics and thermodynamics

(2012) D. J. Wales   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Robotic Emotional Expression Generation Based on Mood Transition and Personality Model

(2012) Meng-Ju Han et al.   IEEE Transactions on Cybernetics

Transition path sampling of protein conformational changes

(2011) Jarek Juraszek et al.   CHEMICAL PHYSICS

Generation of Potential Energy Surfaces in High Dimensions and Their Haptic Exploration

(2011) Moritz P. Haag et al.   CHEMPHYSCHEM

Dancing on DNA: Kinetic Aspects of Search Processes on DNA

(2011) Anahita Tafvizi et al.   CHEMPHYSCHEM

Boxed Molecular Dynamics: Decorrelation Time Scales and the Kinetic Master Equation

(2011) David R. Glowacki et al.   Journal of Chemical Theory and Computation

Pairwise verlet lists: Combining cell lists and verlet lists to improve memory locality and parallelism

(2011) Pedro Gonnet   JOURNAL OF COMPUTATIONAL CHEMISTRY

Applying forces to elastic network models of large biomolecules using a haptic feedback device

(2011) M. B. Stocks et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Dancing on Water: The Choreography of Sulfur Dioxide Adsorption to Aqueous Surfaces

(2011) Eric S. Shamay et al.   Journal of Physical Chemistry C

Watching polymers dance

(2011) Lewis Rothberg   Nature Chemistry

Algorithm discovery by protein folding game players

(2011) F. Khatib et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Tracking State-to-State Bimolecular Reaction Dynamics in Solution

(2011) S. Bradforth   SCIENCE

Galaxy Zoo Volunteers Share Pain and Glory of Research

(2011) D. Clery   SCIENCE

Structured-light 3D surface imaging: a tutorial

(2011) Jason Geng   Advances in Optics and Photonics

A “Radical Dance” in Thiamin Biosynthesis: Mechanistic Analysis of the Bacterial Hydroxymethylpyrimidine Phosphate Synthase

(2010) Abhishek Chatterjee et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Choreographing an enzyme's dance

(2010) Janice Villali et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Protein dynamics: dancing on an ever-changing free energy stage

(2010) Dennis R Livesay   CURRENT OPINION IN PHARMACOLOGY

Predicting protein structures with a multiplayer online game

(2010) Seth Cooper et al.   NATURE

Protein folded states are kinetic hubs

(2010) G. R. Bowman et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Sculpting proteins interactively: Continual energy minimization embedded in a graphical modeling system

(2010) Mark C. Surles et al.   PROTEIN SCIENCE

Interactive Visualization of Molecular Surface Dynamics

(2009) M. Krone et al.   IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS

Progress and challenges in the automated construction of Markov state models for full protein systems

(2009) Gregory R. Bowman et al.   JOURNAL OF CHEMICAL PHYSICS

Complex molecular assemblies at hand via interactive simulations

(2009) Olivier Delalande et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Boxed Molecular Dynamics: A Simple and General Technique for Accelerating Rare Event Kinetics and Mapping Free Energy in Large Molecular Systems

(2009) David R. Glowacki et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Probability distributions of molecular observables computed from Markov models

(2008) Frank Noé   JOURNAL OF CHEMICAL PHYSICS

Rate of Loop Formation in Peptides: A Simulation Study

(2008) Matthias J. Feige et al.   JOURNAL OF MOLECULAR BIOLOGY