Can someone suggest free online/offline tool to predict the drugliness of the multiple small compounds in sdf format? I tried DrugLito, but it is predicting incorrect values. So I am looking for an alternative.
I would like to do classical MDS of a protein containing phosphorylated cysteine (3-oxoalanine) using GROMACS. Which force field should I use?
07 August 2019 7,344 4 View
I have performed simulation using gromacs. The protein is of two chains, I am trying to understand the changes in mmpbsa values between the two chains but I get following. What could be possible...
02 March 2019 1,935 3 View
I have performed a protein-protein simulation. I wish to see the change in binding between protein chain A & chain B. How to create a index files of chain A & B and do the analysis? Like GROUP 1 :...
02 March 2019 6,250 4 View
I wish to study the change in interaction of the small molecule with the protein in respective to change in pH. GROMACS focuses most on protonation state and not directly on pH. So how can I...
01 February 2019 3,095 5 View
We have identified nano particles of different shapes (eg Ag NPs in rod shape, round, etc.). we wish to have computational study. Is it possible to draw the structures of nano particles or get...
03 April 2018 3,981 0 View
02 March 2018 7,111 1 View
05 June 2017 2,142 5 View
05 June 2017 7,745 0 View
03 April 2017 2,597 3 View
02 March 2017 541 2 View
If the detection range is in ng/ml but the reference range is in ug/ml for a molecule or protein in serum or plasma .how to dilute and what is the initial volume to be taken for quantitative analysis
02 March 2021 7,670 3 View
during ultrasound examination of acute abdomen, sometimes we see free fluid , can we know the type of fluid ,whether blood or not , using ultrasound only? if yes , what are the sonographic...
01 March 2021 7,476 4 View
I have run a MD simulation of a ligand-protein complex in GROMACS using CHARMM forcefield. Reviewer has asked me to calculate Ligand-activesite distance and binding free energy of ligand with...
27 February 2021 4,703 1 View
I am looking for a free software for text mining and sentiment analysis for my research on customer review mining (it involves calculating polarity of attributes,opinion oriented information...
25 February 2021 1,920 6 View
A bunch of flower for everybody. I would like to ask about the list of journals which we can publish our paper for free. Thanks in advance. Sincerely Walid
25 February 2021 9,790 3 View
I am currently writing a masters thesis on reasons for occupational stress in the early childhood classroom, and want to include a short survey assessing participants work-related stress levels. I...
24 February 2021 8,678 2 View
To do liquid biopsy and look for specific gene expressions there are so many published papers. Thera are different protocols and procedures used to isolate circulating cell free RNA or mRNA from...
23 February 2021 7,326 5 View
a free multi label clinical text dataset , containing text as entry and several labels as classes. Best regards
22 February 2021 5,988 2 View
Hello! I am interested in determining whether a poly-unsaturated fatty acid I have engineered E. coli to produce is being incorporated into the membrane of the cells or if it is simply a free...
21 February 2021 7,447 2 View
Hello, I am looking to send out links to an online survey. My previous research project used a paid for survey software. I am now looking for something that's free but straight forward to...
19 February 2021 5,641 3 View