CDock 1.1.2 12.07 MB. CDock will unleash your Dock! Itâs a small program to customize your dock on OS X 10.9 Mavericks, OS X 10.10 Yosemite, and OS X 10.11 El Capitan. There are several dock styles included and users can also create their own custom docks.
Torsional Network ModelTNM
Program that computes the normal modes of the torsional network model (TNM), an elastic network model whose degrees of freedom are the torsion angles of the protein backbone. These modes displace backbone atoms including C β maintaining their covalent geometry.
Protein Stability AnalysisDeltaGREM
Computes the folding free energy of proteins with known structure. Sequences can be input either through a Multiple Sequence Alignment including the sequence of at least one of the input PDB or through a list of mutations.
The folding free energy takes into account the native state as represented in one of the input PDB files, the unfolded state, and the misfolded state (compact conformations dissimilar from the native), modelled as a Random Energy Model (REM) up to the second (REM2) or third (REM3) moment of the contact energy.
Protein Structure ComparisonContact_divergence
Computes sequence and structure divergence measures of homologous proteins with known structures. Given a multiple sequence alignment, for all pairs of proteins it computes the Tajima-Nei sequence divergence, the contact divergence (Pascual-Garcia et al. 2010) and the TM-score (Zhang and Skolnick 2005) divergence -log(TM). Input: alignment file in fasta format with names of pdb files as file names, optionally followed by the chain index (Ex: >1opd.pdb A) The first line may be PDBDIR=
ProteinEvolver
ProteinEvolver generates samples of protein-coding genes and protein sequences evolved along phylogenies under structure-based substitution models. These models consider the protein structure to evaluate candidate mutations, which can be accepted (substitutions) or rejected depending on the energy of the protein structure of the mutated sequence. The simulation of molecular evolution occurs along phylogenetic histories, which can be either user-specified or simulated by the coalescent modified with recombination (including recombination hotspots), migration, demographics and longitudinal sampling.
Drug Design (Dr. Antonio Morreale and coworkers)MM-ISMSA
A Scoring Function for Protein-Protein and Protein-Ligand Docking and Molecular Dynamics.
gCOMBINE
A graphical user interface to perform structure-based comparative binding energy (COMBINE) analysis on a set of ligand-receptor complexes.
Dock 1 1 1 download free. full
Cdock 1 1 1 download free. full Version 32 Bit IsoCRDOCK
CRDOCK is a protein-ligand docking program similar to Glide, DOCK or Autodock. It uses a hybrid scoring function based on GlideScore(tm) using a molecular mechanics energy function (AMBER-like) and the ChemScore function to score interactions. The docking program is particularly well suited to generate molecular models of ligand-receptor complexes for further use in COMBINE analysis.
VSDMIP
VSDMIP is a platform for virtual screening (VS) of chemical libraries, integrated within a MySQL relational database.
cGRILL: a simple affinity map generator
cGRILL calculates 4 affinity maps: lipophilic (CH3), hydrogen bond acceptor (=O), hydrogen bond donor (NH4+) and mixed hydrogen bond donor-acceptor (OH). It implements AMBER force field van der Waals and electrostatic terms and a custom hydrogen bond. The code is not pretty but it is licensed under GPL v3.
Download Qlock (free)1+1+1=1 Blog HomeschoolShow times for any city, straight on your desktop. 1.1.1.1 For PcDownload Draft Paper (free)Dock 1 1 1 Download FreeA simple layout tool designed for iOS. Comments are closed.
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