Pinned Repositories
ASRC_Summer_Project-
2019 Summer Project at ASRC CUNY.
automate-mcce
Scripts to efficiently automate MCCE run on multiple systems.
aws-amplify-gatsby-auth
aws-amplify-quick-notes
binding_affinity_ryr1
This repo is the online version of the generated data of the binding affinity of the calcium ion in the RYR1. The data were generated using MCCE2
CSC_I6731_project
Epik-Ligands
This repository contains ligands parametrized for MCCE using Epik to predict protonation states and OpenEye for charge assignment.
ryr1_energyCalculations
SalahBioPhysics.github.io
Personal Site
The_importance_of_protonation_state-effects_in_kinase_inhibitor_binding
The importance of protonation state effects in kinase inhibitor binding
SalahBioPhysics's Repositories
SalahBioPhysics/binding_affinity_ryr1
This repo is the online version of the generated data of the binding affinity of the calcium ion in the RYR1. The data were generated using MCCE2
SalahBioPhysics/CSC_I6731_project
SalahBioPhysics/ryr1_energyCalculations
SalahBioPhysics/The_importance_of_protonation_state-effects_in_kinase_inhibitor_binding
The importance of protonation state effects in kinase inhibitor binding
SalahBioPhysics/ASRC_Summer_Project-
2019 Summer Project at ASRC CUNY.
SalahBioPhysics/automate-mcce
Scripts to efficiently automate MCCE run on multiple systems.
SalahBioPhysics/aws-amplify-gatsby-auth
SalahBioPhysics/aws-amplify-quick-notes
SalahBioPhysics/Epik-Ligands
This repository contains ligands parametrized for MCCE using Epik to predict protonation states and OpenEye for charge assignment.
SalahBioPhysics/SalahBioPhysics.github.io
Personal Site
SalahBioPhysics/gpt-2
Code for the paper "Language Models are Unsupervised Multitask Learners"
SalahBioPhysics/ManifoldEM_Matlab
SalahBioPhysics/marketplace
This repository exists to facilitate collaboration among my colleagues and myself, such that they create technical documents and I aid in the editing process.
SalahBioPhysics/mcce-charges
generating ligand charges
SalahBioPhysics/mcce3.5
SalahBioPhysics/mcce3.5.1
Biophysics simulation program combining continuum electrostatics and molecular mechanics
SalahBioPhysics/MD
This is where I will keep all of the Molecular dynamics (MD) simulations
SalahBioPhysics/my_SSTMap
Using Solvation Structure and Thermodynamic Mapping to study structural and thermodynamic properties
SalahBioPhysics/Notebooks
This is where all of the IPython Notebooks will be kept
SalahBioPhysics/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
SalahBioPhysics/Programming-Collective-Intelligence
Examples from Programming Collective Intelligence
SalahBioPhysics/pytrademonster
An easy to use Python interface to optionshouse (trademonster) proprietary XML based API.
SalahBioPhysics/quick-notes
Deploy a full stack web app to help you organize your notes when you're on the go.
SalahBioPhysics/SalahBioPhysics
hahaha found the secret!
SalahBioPhysics/scikit-learn
scikit-learn: machine learning in Python
SalahBioPhysics/Stable-MCCE
Stable version of MCCE.
SalahBioPhysics/testing_travis
This is a hello world code to test how to use travis.
SalahBioPhysics/testingconda
testing conda
SalahBioPhysics/tfjs-examples
Examples built with TensorFlow.js
SalahBioPhysics/topology_files
A topology file contains the physical and chemical parameters and bond information used by MCCE for the distinct residues and ligands.