...ma 'sto paper quando uscirà???
How can I convert a trajectory file from GROMACS (trr or xtc format) to AMBER (ASCII or NetCDF format)? I have always seen tutorial about the revers procedure, ie from AMBER to GROMACS...
06 July 2014 2,240 4 View
From what I have understood (from the AMBER manual) I have to prepare the topology of every single mutant I want to scan and, subsequently, I have to start an individual run (with the MMPBSA.py...
05 June 2014 3,637 1 View
I am looking for a forcefield in GROMACS which better characterizes the TCDD ligand. In particular I have found that OPLS-AAx seems suitable [J Chem Theory Comput. 2012 Oct...
01 February 2014 5,031 4 View
Since I have MDs produced with GROMACS, are there available any tool for calculating dGs with MM/GBSA method? (and, in the meanwhile, without converting trajectories in AMBER format?)
01 February 2014 7,279 9 View
Does anyone have a "reference manual" of such forcefield? (especially the related top files in GROMACS) e.g. what are the atom types included and what they describe, etc. etc.
31 December 2013 5,649 3 View
I need to create a topology file (.top for GROMACS) of 2,3,7,8-TCDD (dioxin). In particular my topology file will have to be suited for implementing OPLS-AA forcefield, since I know that the...
31 December 2013 2,096 9 View
I am interested in this technique. Beyond the methodological background can you suggest any reference where accelerated MD has been performed with the GROMACS package? In my lab we do not have...
11 December 2013 8,698 1 View
I have to accomplish an homology modeling task in which the reference template does not cover very large loops of the query sequence (20-30 residues). I have not found any reliable alternative...
11 December 2013 8,518 3 View
How we can cite the papers from ResearchGate. I am trying to create citations for this article, Quantum Machine Learning Algorithms for Optimization Problems: Theory, Implementation, and...
08 August 2024 6,690 3 View
The paper in question is "Interpolation of Nitrogen Fertilizer Use in Canada from Fertilizer Use Surveys". This paper was very recently published by Agronomy (MDPI). Agronomy has, in the last day...
07 August 2024 9,934 3 View
Hello dear colleagues, We have prepared a manuscript on NiTi-based alloys and are seeking a second opinion on our current TEM results. If you are a Ph.D. holder with experience in TEM and have...
07 August 2024 9,563 0 View
how to get links for copyrights for papers?
06 August 2024 7,410 1 View
To compare positive and negative cell populations in flow cytometry, should I compare unstained cells with antibody stained cells? Or with the isotype control? Most papers show comparison with...
06 August 2024 6,728 6 View
need to open an account to upload my published papers
01 August 2024 9,255 1 View
I've seen articles that primarily focus on alpha and beta activity in the frontal regions, but these studies often compare healthy subjects with those having various pathologies. I haven't seen a...
31 July 2024 7,259 1 View
I've been using ResearchGate for a while now and have found many useful research papers that are beneficial for my work. However, I've noticed that many authors do not respond to my messages....
31 July 2024 7,771 5 View
I have not addede any paper yet but it has selected 3 papers which are not mine in my account. i want to delete that information. please help me
30 July 2024 3,743 0 View
we have few papers ready for submission, and we need one co-author for each article who can pay article fee. Interested authors may text here or contact me on my following email id [email protected]
29 July 2024 6,626 0 View
