I need the protocol for writing a program to calculate the native contacts of a protein. Any reference article would also be highly appreciated.
MDanalysis and MDtraj
So i have a few peptides (synthesized by SPPS and not cleaved from resin) and I want to add a maleimide label. We have NHS-PEG-Maleimide and from literature it is evident that the free amine group...
18 July 2024 4,075 3 View
Hey everyone! I'm doing peptide synthesis on Rink amide resin and sometimes I need to add amino acids with secondary amines or beta amino acids. Normally I synthesize 35 to 40 mer peptides. As a...
21 May 2024 9,035 0 View
Hey everyone! I have a few peptide sequences synthesized using SPPS and all of them are in the M.wt range of 6 to 8kDa. I've done MALDI MS and found out that I do have the desired peptide peak but...
13 May 2024 5,967 2 View
story of every researcher
31 March 2024 1,732 5 View
Suggest some papers on Mahalanobis Distance applied on Education.
02 June 2023 3,077 0 View
I need to prove the hypothesis
15 May 2023 9,618 2 View
What are the main methods of doing visual ethnography?
09 May 2023 9,532 1 View
What is the main purpose of a bibliography?
08 May 2023 4,178 6 View
What effect size is used for t-test?
07 May 2023 5,897 3 View
What are the main criteria for formulating a legitimate hypothesis?
07 May 2023 7,893 1 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
Hi, I know that low molecular weight (MW) molecules generally tend to have higher mobility, while high molecular weight molecules tend to have lower mobility. However, in my experimental...
06 August 2024 1,495 2 View
kindly reply me. Thanking you in advance.
05 August 2024 7,727 4 View
Is it possible to conduct a molecular dynamics simulation to see the effects of a specific carbohydrate on the structure of lipids (e.g., micelle structure)? I am a beginner in this field and plan...
03 August 2024 3,371 3 View
I am using a windows system, what software I should use for hydration shell analysis with molecular dynamics?
02 August 2024 3,143 4 View
Molecular docking software/ websites?
02 August 2024 8,704 7 View
Can we patent a process flow diagram developed using a process simulator but no actual cases is carried out? For example consider a process for certain product manufacture where a new process flow...
31 July 2024 781 1 View
I am currently working on a project involving liposomes and need to determine the maximum volume of siRNA that can be added to a 2.5 mL liposome solution with a total lipid concentration of 10...
30 July 2024 6,420 1 View
Dear all, I am working on particle deposition in human's & rat's respiratory airways using CFD and I am looking for the 3D CAD file for my simulations (STEP or IGES format). If somone has such...
29 July 2024 1,092 2 View
Dear All Gromacs User I would like to restart MD without using checkpint .cpt files? I heard there is a way for acheiveing this. Any input and sugegstions are most welcome. Thanking You Budheswar
29 July 2024 3,084 8 View