标题
QwikMD — Integrative Molecular Dynamics Toolkit for Novices and Experts
作者
关键词
-
出版物
Scientific Reports
Volume 6, Issue 1, Pages -
出版商
Springer Nature
发表日期
2016-05-25
DOI
10.1038/srep26536
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Cellulose degradation in the human gut: Ruminococcus champanellensis expands the cellulosome paradigm
- (2016) Isaac Cann et al. ENVIRONMENTAL MICROBIOLOGY
- Video Quality Evaluation Methodology and Verification Testing of HEVC Compression Performance
- (2016) Thiow Keng Tan et al. IEEE TRANSACTIONS ON CIRCUITS AND SYSTEMS FOR VIDEO TECHNOLOGY
- Atomic detail visualization of photosynthetic membranes with GPU-accelerated ray tracing
- (2016) John E. Stone et al. PARALLEL COMPUTING
- Enhanced sampling techniques in molecular dynamics simulations of biological systems
- (2015) Rafael C. Bernardi et al. BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS
- Molecular dynamics simulations of large macromolecular complexes
- (2015) Juan R Perilla et al. CURRENT OPINION IN STRUCTURAL BIOLOGY
- Mechanism of Substrate Translocation by a Ring-Shaped ATPase Motor at Millisecond Resolution
- (2015) Wen Ma et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Mapping Mechanical Force Propagation through Biomolecular Complexes
- (2015) Constantin Schoeler et al. NANO LETTERS
- CryoEM and computer simulations reveal a novel kinase conformational switch in bacterial chemotaxis signaling
- (2015) C Keith Cassidy et al. eLife
- Molecular dynamics study of enhanced Man5B enzymatic activity
- (2014) Rafael C Bernardi et al. Biotechnology for Biofuels
- Impact of M36I polymorphism on the interaction of HIV-1 protease with its substrates: insights from molecular dynamics
- (2014) Mauricio GS Costa et al. BMC GENOMICS
- A theoretical view of protein dynamics
- (2014) Modesto Orozco CHEMICAL SOCIETY REVIEWS
- GPU-accelerated analysis and visualization of large structures solved by molecular dynamics flexible fitting
- (2014) John E. Stone et al. FARADAY DISCUSSIONS
- Ultrastable cellulosome-adhesion complex tightens under load
- (2014) Constantin Schoeler et al. Nature Communications
- PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data
- (2013) Daniel R. Roe et al. Journal of Chemical Theory and Computation
- Rapid parameterization of small molecules using the force field toolkit
- (2013) Christopher G. Mayne et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics
- (2013) Gongpu Zhao et al. NATURE
- Energy barriers and driving forces in tRNA translocation through the ribosome
- (2013) Lars V Bock et al. NATURE STRUCTURAL & MOLECULAR BIOLOGY
- The Gating Mechanism of the Human Aquaporin 5 Revealed by Molecular Dynamics Simulations
- (2013) Lorant Janosi et al. PLoS One
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- (2012) Rafael C. Bernardi et al. Journal of Chemical Theory and Computation
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- (2012) Robert B. Best et al. Journal of Chemical Theory and Computation
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- (2012) Ygara S. Mendes et al. PLoS One
- Ras and GTPase-activating protein (GAP) drive GTP into a precatalytic state as revealed by combining FTIR and biomolecular simulations
- (2012) T. Rudack et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Parallel Generalized Born Implicit Solvent Calculations with NAMD
- (2011) David E. Tanner et al. Journal of Chemical Theory and Computation
- PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical pKaPredictions
- (2011) Mats H. M. Olsson et al. Journal of Chemical Theory and Computation
- MDAnalysis: A toolkit for the analysis of molecular dynamics simulations
- (2011) Naveen Michaud-Agrawal et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Fast analysis of molecular dynamics trajectories with graphics processing units—Radial distribution function histogramming
- (2011) Benjamin G. Levine et al. JOURNAL OF COMPUTATIONAL PHYSICS
- Applications of computational science for understanding enzymatic deconstruction of cellulose
- (2010) Gregg T Beckham et al. CURRENT OPINION IN BIOTECHNOLOGY
- I-TASSER: a unified platform for automated protein structure and function prediction
- (2010) Ambrish Roy et al. Nature Protocols
- Molecular dynamics flexible fitting: A practical guide to combine cryo-electron microscopy and X-ray crystallography
- (2009) Leonardo G. Trabuco et al. METHODS
- Molecular dynamics study of biomembrane/local anesthetics interactions
- (2009) R.C. Bernardi et al. MOLECULAR PHYSICS
- MUFOLD: A new solution for protein 3D structure prediction
- (2009) Jingfen Zhang et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- CHARMM-GUI: A web-based graphical user interface for CHARMM
- (2008) Sunhwan Jo et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Flexible Fitting of Atomic Structures into Electron Microscopy Maps Using Molecular Dynamics
- (2008) Leonardo G. Trabuco et al. STRUCTURE
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