I want to calculate binding energy. So I want to install APBS in centos. I have cmake. Please help me out if anybody know how to install APBS step by step in CentOS?
Dear All, I want to compute the number of water molecules and their retention period within five angstrom of two catalytci residues belonging to two different chains of a lipid bilayer...
07 August 2019 3,238 14 View
Dear All, Hi..I am doing analysis of Helix properties using gmx helix program of GROMACS 2018.2 installed in a workstation with CentOS. I have created an index fro my TM and then while I use gmx...
08 September 2018 9,889 0 View
Dear All, Hi, I have trajectory file of 500 ns of membrane proteins. Though the file is large enough, I have a problem while I use trjconv option it shows the following error... Program: gmx...
07 August 2018 3,938 6 View
Hi, I am doing an MD simulation of a protein-ligand complex using GROMACS 2018.2. I want restrain my ligand for that I need to generate a position restraint topology for it. I need a shell script...
06 July 2018 9,982 0 View
Hello Everyone, I am trying to run very large systems (membrane protein systems) for longer period of times (say=500 ns). Due to very strict wall time constraint the running MD systems may be...
05 June 2018 8,301 4 View
I have predicted certain group of epitopes. Now I want assess the allegenecity of these predicted epitopes. Dose anybody has any idea which is best tool for allergen prediction... Thanking...
06 July 2015 4,836 2 View
I want to design peptide from group a group of aligned sequences targeting a specific viral region of human. What will be my approach, I need step by step guide so that in each step I can...
11 December 2014 9,009 10 View
Please let me know how to retrieve exact GEO data of plants and infected microbes for comparative analysis of microarray data.
11 December 2013 3,235 1 View
I have the transcript contigs of both the samples generated from SOLid4.0. If anybody ahs an idea how to find the up-regulated and down-regulated transcripts (which are .fasta format) using any...
08 September 2013 9,595 3 View
Step by step Installation of DSSP for GROMACS in CENTOS.
03 April 2013 6,793 4 View
I have virus (viral hemorrhagic septicemia virus) in suspension and the experiment will not involve cells. What level of TCID50 is preferred?
11 August 2024 3,115 1 View
I am developing a predictive model for a water supply network that involves 20 influencing points. However, I only have historical data for 10 out of these 20 points. I would like to know how to...
10 August 2024 4,005 2 View
"PUBLISHING IN A SCOPUS JOURNAL" Researchers are now at a cross road. The critical need to publish in a Scopus or ISI, etc journal is ever vital. Journal Publication fees must be submitted....
10 August 2024 8,621 1 View
Hello everyone, I am currently developing a thesis proposal and would appreciate your input on its viability and how to effectively carry it out. My proposed topic is: "Does the perceived threat...
10 August 2024 8,992 0 View
Usually, additive manufacturing techniques like SEBM, SLS, and SLM are used for interconnected porous lattice structure generation with sizes of >100–200 micrometers. Can the Fused Deposition...
09 August 2024 7,892 0 View
I need to model an anisotropic material in which the Poisson's ratio ν_12 ≠ ν_21 and so on. Therefore, the elastic compliance matrix wouldn't be a symmetric one. In ANSYS APDL, for TB,ANEL...
09 August 2024 5,048 2 View
Who will bear moral responsibility for the deaths of thousands of people in the event of an earthquake? Weeks and months remain before the onset of strong earthquakes that bring death to...
08 August 2024 6,134 12 View
I'm currently working on calculating the collision cross section (CCS) for various ions, and I'm facing challenges when dealing with sodiated and multiply charged ions. Most of the resources I’ve...
08 August 2024 8,329 0 View
I am trying to simulate vehicular loading on an orthotopic steel deck bridge section in ABAQUS software. The red arrow mark in the attached figure indicates the direction in which the vehicle will...
08 August 2024 719 0 View
Dear fellow researchers, I am currently working on a paper where I need to provide a reliable reference that defines and distinguishes between 3D mesh models and 3D city models. Although I am...
06 August 2024 9,986 2 View