i am doing MD simulation for protein, 6lu7. when i use charmmgui to generate parametric files lig.prm file is not generated.
primers are to be used for RTPCR
03 June 2024 8,588 8 View
Oligo length is 19bp
10 January 2024 4,299 1 View
I'm looking for a mathematical model for transfer of heat in human body organs especially (eye, heart, brain and lungs). How is the behavior of heat transfer at normal and extreme levels
12 July 2023 4,888 2 View
i have been doing the molecular dynamic simulation for 6lu7 protein and some ligands and constantly getting the namd2 error.
03 March 2022 9,117 2 View
I want to ask two questions basically. (1) How we can calculate area of small molecules like methane, ethane, phenol using Pymol ? I watched and read a lot but everything is about calculation...
01 February 2022 5,756 2 View
I have done with the molecular docking by using autodock vina tools, then i calculated inhibition constant from binding energy. Now how i can correlate inhibition constant with binding energy in...
05 July 2020 712 8 View
I have performed a bio-refinery simulation on Aspen Plus using non-conventional components. Now, what I am willing to do is to specify one of the product (non-conventional) into a mixture of some...
12 February 2020 5,681 4 View
Hello I am using OMPL (https://bitbucket.org/ompl/ompl/src/default/) for path planning in 3D. OMPL is giving me paths after checking with available collision map (Octomap) but sometimes initial...
27 July 2019 9,438 0 View
I use the function (wpdec2) in wavelet packet
28 April 2019 1,851 2 View
Actually im doing my research on online product reviews and struggling on theory, please help me out
25 December 2018 7,187 5 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
Program: g_mmpbsa, version 2024.1 Source file: extrn_apbs.cxx (line 152) Fatal error: Failed to execute command: $APBS pybYcUWA.in --output-file=pybYcUW.out
07 August 2024 6,066 0 View
The first pdf file I uploaded had an error. So I uploaded an updated, corrected pdf of that paper with a different pdf name. I dpon't want the old copy to be download or read.
07 August 2024 9,508 1 View
Dear QE-users, In the method where full MS positive mode and PRM mode are used, we always get an incorrect auxiliary gas reading (41 instead of 25). This only happens in this method; other...
06 August 2024 4,953 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
Dear Researchers Kindly share JCPDS 65-7246 file Thanks in advance
04 August 2024 5,613 1 View
Hi everyone I need a file with a dirty and clean potato image
04 August 2024 7,199 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