计算生物学与药物设计小组
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3D Molecular Models 1.1.2 - Manipulate 3D Models of Molecules for Android
3D-DART - DNA Structure Modelling Server
3D-Garden 1.4 - Protein-protein and Protein-polynucleotide Docking
3DCA - 3D Cluster Analysis
3DLigandSite - Ligand Binding Site Prediction Server
3Dmol.js - Molecular Visualization with WebGL
3DNA 2.2 - Vsualization of Three-Dimensional Nucleic Acid Structures
3V 1.3 - Volume Related Calculations
ABS-Scan - Webserver for Insilico Binding site Alanine Scanning Mutagenesis
ActiveICM 1.2-2 - PowerPoint & Web Browsers Plugin to Display 3D Modules
Adepth - Measures of Atomic Depths in Macromolecules
ADP_EM 1.03 - Fast Rigid-body Fitting
Adun 0.81 - Biomolecular Simulator
AIDA - Ab Initio Domain Assembly Server
Al-Eigen - Contact Map Overlap by Alignment of Eigenvectors
AlloPathFinder 1.1 - Compute Likely Allosteric Pathways in Proteins
AlloPred 1.0.0 - Prediction of Allosteric Pockets on Proteins
ALMOST 2.1.0 - Molecular Simulation toolkit for Protein Structure Determination
AlphaMol 1.0 - Tools for Biomolecular Geometry
AMBER 14 - Assisted Model Building with Energy Refinement
AmberTools 14 - Molecular Dynamics Simulation
AMMOS / DG-AMMOS - Automated Molecular Mechanics Optimization tool for in silico Screening / using Distance Geometry
AMMP 2.0 - Molecular Mechanics, Dynamics and Modeling program
ANGULATOR - Angular Trends Of Repeat Proteins
ANOLEA 2.4.2-2 - Assess the Quality of a 3D Protein Structure
ANTHEPROT 3D 1.0.162- Molecule Viewer to look at PDB files
APBS 1.4.1 - Evaluat Electrostatic Properties of Nanoscale Biomolecular System
aPPRove - Accurate Prediction of RNA and Pentatricopeptide Repeat Protein Binding
ArchiP 2.3 - Detecting Architectures of all-β and α/β-classes
ArgusLab 4.0.1 - Molecular Modeling, Graphics & Drug Design Program
ARP/wARP 7.5 - Crystallographic Macromolecular Model Building
ArShift - Structure Based Predictor of Protein Aromatic Side-Chain Proton Chemical Shifts
Ascalaph 1.8.88 - Molecular Modelling Suite
Athena - Molecular visualisation software for Solaris
Atomdroid 1.5.0 - Molecular Viewer/Builder for Android
ATSAS 2.6.0 - program suite for Small-angle Scattering data analysis from Biological Macromolecules
AtVol 1.2 - Atomic Volume Calculation
AUDocker 1.1.2 - GUI for AutoDock Vina
AuPosSOM 2.1 - Virtual Screening tool for the Automatic Analysis of Docked Structures
Autobondrot 2.0 - Generate Multiple Molecular Conformation
AutoChrom3D v1 - Modeling and Visualization the 3D Structure of Human or Mouse Chromatin
AutoDock 4.2.6 / AutoDockTools 1.5.6 - Suite of Automated Docking Tools
AutoDock Vina 1.1.2 - Molecular Docking and Virtual Screening Program
Autodock/Vina plugin for PyMOL
AutoGrow 3.0 - Use AutoDock Vina in Protein Inhibitor Design
Avogadro 2.0.8.0 - Molecule Editor & Visualizer
AVP 1.3 - Calculate Protein Void Volumes and Packing Quality
AxPyMOL 1.7.4 - PowerPoint Plug-In for Embedding 3D Molecular Images & Animations
B 1.0alpha - Biomolecular Modeling Package
BALBES 1.1.5 - Molecular Replacement
ballaxy - Galaxy-based workflow toolkit for Structural Bioinformatics
Balloon 1.6.3.1249 - Creates 3D Atomic Coordinates from Molecular Connectivity
BALLView 1.4.79 - Molecular Modeling & Visualization
BARNACLE 0.21 - RNA 3D Structure Prediction
BASILISK 0.1 - Probabilistic Model of Side Chains in Proteins
BD_BOX 1.2 - Brownian Dynamics Simulation
BDOCK - Grid-based Protein-protein Docking software
Benchware® 3D Explorer 2.7 - 3D Chemical Visualization
BEST 3.1 - Macromolecular Crystallography
BetaMol v0.92d - Molecular Modeling, Analysis, and Processing software
BetaVoid v1 - Molecular voids via beta-complexes and Voronoi diagrams
BINANA 1.0.2 - Analyzing Ligand Binding
Bio3D 2.2-2 - Biological Structure Analysis
BioBlender 1.0 - Software built on the Open-source 3D Modeling software Blender
Bioclipse 2.6.1 - Life Sciences Workbench
Biodesigner 0.75 - Molecular Modeling & Visualization
BioEditor 1.6.1 - Present Macromolecular Structure & Structural Annotation
BioShell 2.2 - Structural Biology Computation
BioSuper - Superimposition of Biological Assemblies
BioViewer 1.5.7 - Read only version of BioEditor
Biskit 2.4.0 - Python Platform for Structural Bioinformatics
BndLst 1.6 - List Covalent & H-bonded Neighboring Atoms
BnP 1.02 - Protein Structure-determination package
Bodil 0.8.1 - Biomolecular Visualization and Modeling
BRAGI 20091106 - A Protein Visualization and Modeling Program
BSP-SLIM - Low-Resolution Docking on Predicted Structures
buccaneer 1.5 - Electron Density Interpretation/Protein Model Building software
C2A 1.0 - Coarse to Atomic
C2S 1.3 - Contact Map-based Protein Structure Reconstruction Pipeline
CABS-flex - Server for fast Simulation of Protein Structure Fluctuations
CABS-fold - Server for de novo and Consensus-based prediction of Protein Structure
CAD-score 20140827 - Evaluation of Protein Structural Models against the Reference Structure
Cadnano 2.5 - Design Three-dimensional DNA Origami Nanostructures
CafeMol 2.1 - Biomolecular Modeling and Simulation Software
CAVER 3.02 / CAVER Analyst 1.0 - software tool for Protein Analysis and Visualization
CCBuilder 1.0 - Coiled-coil Protein Assemblies
CCharPPI - Computational Characterisation of Protein-Protein Interactions
CCOMP 3.70 - Compare Ligand/Receptor Complexes
ccp4 6.5 - Macromolecular X-Ray Crystallography
CCP4mg 2.9.0 - Create Publication Quality Molecular Images and Movies
Cell-Dock - High-performance Protein-protein Docking
cGRILL 0.5 - Unsophisticated but Effective Affinity Map Generator
CH3Shift - Structure Based Prediction of Protein Methyl Group Chemical Shifts
CHARMM 40 / CHARMM-GUI 1.7 - Macromolecular Dynamics and Mechanics / GUI
CheckMyMetal - Metal Binding Site Validation Server
Chem3D for iPad 2.0.2 - View and manipulate stunning 3D chemical and biochemical images
ChemCraft b395 - Graphical Program for working with Quantum Chemistry Computation
Chemis3D 2.89b - Java 3D Molecular Viewer Applet
Chemitorium 4.0 - Molecule Editor & 3D Chemical Structure Viewer
ChExVis - Molecular Channel Extraction and Visualization
ClashList 1.1 - Build Lists of van der Waals Clashes from PDB file
ClashScore 1.1 - R Script for VTF Percentile Plot
CLC Drug Discovery Workbench 2.4 - Virtual Lab Bench for Chemists
CLICK - Comparison of Biomolecular 3D Structures
Cluster 1.3 - Build Collections of Interacting Items
CMol 1.3.3 - Molecular Viewer for the iPad, iPhone and iPod touch
CMView 1.1.1 - Protein Contact Map Visualization and Analysis
CN3D 4.3.1 - 3D Molecular Structure Viewer
CNSsolve 1.3 - X-ray Crystallography Suite
CombDock - COMBinatorial Asembly by mutiple DOCKing
COMBOSA3D 1.1 - Coloring Of Molecules Based On Sequence Alignment
COMMA - Dissect Proteins Dynamical Architectures
COMPLIG - Ligand Molecule Superposition tool
COMPPDB - PDB Superposition Tool
CompuCell3D 3.7.4 - 3D Multiscale Multi-cell Simulations
Concavity 0.1 - Ligand Binding Site Prediction from Protein Sequence and Structure
Concoord 2.1.2 - Protein Structure Generation from Distance Constraint
CONFOLD 1.0 - Residue-residue Contact-guided ab initio Protein Folding
CONSCRIPT - Generate Electron Density Isosurfaces in Protein Crystallography
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