Is it ok to simulate protein ligand interractions using Coarse Grained forcefields?

Hi, I would like to study how a large protein complex interracts with a ligand. Due to the sheer size im afraid im limited to Coarse Grained. Im guite confident about the protein, however the...

28 January 2019 1,651 3 View

Why define the "steps per cycle" value, when you could just use the timesteps in NAMD?

03 October 2014 1,051 4 View

Binary Logistic Generalized Linear Mixed model in SPSS. Is it doable?

I want to analyses the proportion of swimming sperm of three species of fish in two salinities. To analyse the proportion of swimming sperm in a Generalized Linear Model, I would use a Binary...

03 March 2021 2,297 3 View

What test should i use in comparing the correlation between categorical and continuous variables?

Dear all, I have the variable (Surgery duration) represented by values in minutes and the variable (preoperative neuropraxia cases) represented as (Yes/No) values. I want to compare these two...

03 March 2021 5,427 5 View

Logistical regression using SPSS for a dichotomous dependent variable, with an independent variable of 1, 2, 5 and 10 seconds?

I have an experiment with 28 participants The independent variable is the times 1, 2, 5, and 10 used as the cross hairs during a task These 4 times were tested using 4 different blocks, each...

03 March 2021 9,692 2 View

How to find the mean, SD and CI in SPSS?

Hi, I hope that someone can help me with this task: I have 5 groups of participants which are numbered in SPSS from 1 to 5 (according to their group number) and are all under the variable group....

03 March 2021 506 3 View

What degree of missing data in a particular case/participant results in Expectation-Maximisation no longer working?

I'm dealing with a mediation model and am using the PROCESS module in SPSS. Due to SPSS and PROCESS being limited in the imputation methods - being unable to handle multiple imputation - the other...

02 March 2021 4,362 1 View

How to code open-ended questions in SPSS?

Hello all, In SPSS I am going to code 2 open-ended questions. I have already read all the answers and I made a list of the most important categories to which I can code the answers. This question...

02 March 2021 1,757 4 View

The procedure compute?

02 March 2021 5,204 3 View

Does anyone know what a '.' means in SPSS?

Hi everyone! I was wondering if anyone would be so kind as to help me with regards to my data set on SPSS! I was checking for multivariate outliers via the standardised residuals ('Linear...

02 March 2021 7,910 3 View

How to calculate BREQ 3 questionnaire?

how to calculate BEHAVIOURAL REGULATION IN EXERCISE QUESTIONNAIRE BREQ 3 ,which contain 24 questions and each question has 5 answers (0- Strongly disagree , 1-disagree, 2- Neither agree nor...

02 March 2021 811 3 View

What SPSS analysis should I run with one IV (with two levels) and two DVs?

Hi, I am trying to figure out which test would be most appropriate to run for the following question: Is there a difference in task blood pressure between smokers and non-smokers? There are two...

01 March 2021 8,235 2 View