I want write filed for methanol molecule. I need to know what the difference is between OPLS-AA and OPLS-AA/L?
OPLS-AA/L has refitted Fourier torsional coefficients. The method and data set is described by Kaminski et al. in J. Phys. Chem. B, 2001, 105 (28), pp 6474–6487
Dear all, does anyone has the estimation code for Xiao (2009) quantile cointegration test.
28 July 2024 6,133 3 View
Dear all, I have a user written estimation code based on the paper dynamic panel data estimations with fixed effect by Galvao(2009). I have seen many papers using this method and pvalue, standard...
22 July 2024 4,588 1 View
I want to study the differences between two groups: the treatment group and the comparison group. The total population consists of 60000 women in the treatment group, distributed across different...
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28 June 2024 949 0 View
So I have a structure with a pile foundation and a gravity load acting on the structure. The demand curve is drawn by running an elastic analysis. Pile-Soil is modelled as p-y, t-z, and q-z...
14 June 2024 5,220 0 View
Hello, I recently started working with antibiotics and I do not have that much experience of making dilutions accurately. I want to ask if I suppose to add 200mg of antibiotic in 100ml of water...
08 June 2024 2,285 6 View
InfoScience Trends offers comprehensive scientific content that delves into various facets of information science research. This includes but is not limited to topics such as information...
26 April 2024 9,521 1 View
Red bone marrow contains blood stem cells that can become red blood cells, white blood cells, or platelets. Yellow bone marrow is made mostly of fat and contains stem cells that can become...
10 April 2024 6,011 1 View
Dear Sir, Hello I am Hamid Nasri, founder of Journal of Renal Injury Prevention; https://www.journalrip.com/ Please let me know, how we can activates its profile in RG. Thank you Hamid...
30 March 2024 5,569 2 View
all know the stability of ships in dry-docking has critical period. the maxsurf suite can simulate the stability behavior in many case of loading and damage scenario. now, How to simulate...
06 March 2024 3,845 0 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
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
Good day, I am a student trying to work on Autodock for a project regarding Ligand-DNA interaction so i am quite new to molecular docking. i have followed tutorials and did all the steps...
28 July 2024 2,136 4 View