How do you get around this AutoDock Vina error?

I get the following error messages after running the simulation: Sorry, there are no Gasteiger parameters available for atom ligandx.ligand:A:lig1:O7 AutoDock Vina ligand docking initiated for...

26 January 2021 3,822 3 View

How is the width and depth of a neural network in machine learning selected for optimal processing?

How is the depth and width of a neural network in machine learning chosen for optimal processing? Given that neural networks are tending to be deeper now (thanks to more efficient coding and...

25 January 2021 9,904 3 View

Italicization in molecule name: N-acetyl-p-benzoquinoneimine (NAPQI)?

Is there a convention for correct italicization of abbreviated parts of chemical molecule names? For...

13 January 2021 7,396 3 View

Are there definitive rules or conditions for the creation of a quantum mechanically entangled state?

Are there some (simple) rules or conditions which dictate whether a physical process will lead to a state of quantum entanglement of two or more particles or systems? Given the relevance of the...

13 December 2020 7,590 3 View

Speaking of the Brazilian test of Lobo Carneiro, which other researchers did similar tests?

22 October 2020 4,536 2 View

Recommendation for Finding (Ocean Warming) Datasets?

Hello! I'm having trouble finding a suitable dataset that I'm pretty sure must exist. I've spent a couple days on Google without luck. If anyone has any dataset search websites to recommend please...

24 June 2020 2,008 7 View

Why do US National Burn Repository cases with valid hospital charges data have longer mean hospital days per %TBSA compared with survivors overall?

Successive National Burn Repository (NBR) Annual Reports consistently show a mean of approximately 1 hospital day per %TBSA burn across all patient records. For example, analyzing data from Table...

24 February 2020 489 2 View

What is the difference between Cyclic Voltammetry(CV) and Galvanostatic Charge-Discharge (GCD)??

What is the difference between Cyclic Voltammetry(CV) and Galvanostatic Charge-Discharge (GCD) especially when the samples to be run are supercapacitor or electrode material?? What is their...

11 March 2019 990 8 View

What is the best etchant for 3d-transitional metals high-entropy alloys?

I would like to reveal the as-cast dendrite microstucture.

30 January 2019 9,690 3 View

How big of an fold change value is possible to measure with qRT-PCR?

How big of a relative fold change in RNA expression can I reasonably expect to be able to quantitate using qRT-PCR? I have a highly expressed gene that I'm knocking down, and I know (via a...

19 November 2018 6,875 2 View

After a reference from Int J Body Compos Res, can any body help?

Hi, I am after the reference below, my library says it cannot obtain a copy either locally or internationally, any help appreciated! Chris Wang ZM, Heshka S, Wielopolski L, Pi-Sunyer FX, Pierson...

03 March 2021 6,193 1 View

Irradiation data for JAPAN?

Hi, Could you help me to get the latest (2019, 2020) solar resource data for a particular site in JAPAN? PV GIS and NSRDB data are not in reach to JAPAN, I'm looking for some other database for...

03 March 2021 961 3 View

New Journal, "Integrative Psychological and Behavioral Science" -- do you not know, and have you not seen, this done before?

Question to you and THEM, the New Journal, "Integrative Psychological and Behavioral Science" -- do you not know, and have you not seen, this done before? There appears to be a core problem for...

02 March 2021 3,024 2 View

Could you please recommend some good journal that accept very long revie papers (approximately 6000+ words) in neurosurgery, cancer biology ?

Could you please recommend some good journal that accept very long revie papers (approximately 6000+ words) in neurosurgery, cancer biology ?

01 March 2021 8,087 3 View

Is CD44 degraded in lysosome together with hyaluronan after CD44 mediated endocytosis of hyaluronic acid?

Also when RHAMM binds hyaluronic acid, they get internalized, will RHAMM also be degraded? Or both CD44 and RHAMM will be transferred back to the cell membrane? Asking for breast cancer cell line...

01 March 2021 8,169 2 View

Where to find data on trees in tropical agroforestry?

Hi, I'm looking for data (mainly related to management: growth rate, canopy size, soil and climate preferences, etc.) about tropical trees used in tropical agroforestry. Have you ever heard about...

28 February 2021 7,356 8 View

How to calculate Ligand-active site distance in a ligand-protein complex from MD simulation?

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

Why do the air flow results vary totally when adding scalar in CFD ?

Dear All, We are using Autodesk cfd to calculate the air flow in a single sided naturally ventilated room, where air flow depends only on buoyancy due to temperature difference between inside and...

25 February 2021 9,602 4 View

How to model Supercritical water gasification (SCWG) process in Homer software?

Hi everyone How to model Supercritical water gasification (SCWG) process in Homer software?

25 February 2021 4,075 1 View

Steps to calculate activation energy by coats & redfern method?

I'm a chemistry student and I'm researching the kinetic degradation of mixed plastic waste. I'm having trouble calculating the activation energy by the coats & Redfern method. The data that...

24 February 2021 974 1 View