TandemViz v2.4.0 Release Overview

TandemPose
TandemForce
TandemNetMap
TandemEnergy
TandemAnalytics
Edit Parameters
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v2.4.0 - Latest
AUTORUN
COMPLETED
Logs

TandemFEP - v2.4.0 - Latest - TandemNetMap

ejm_46
~
jmc_27
Connect mapped atoms
Ctrl+Drag: Rectangular selection | Click/Ctrl+Click: Select/Deselect atom

ejm_46
~
jmc_27
Connect mapped atoms
Escape/Dbl-click Background: Clear Selection | Delete: Remove selected mappings

ejm_46
~
jmc_27
Connect mapped atoms
35:H ha
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ejm_46
~
jmc_27
Connect mapped atoms
23:Cl cl
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TandemFEP - v2.4.0 - Latest - TandemEnergy

decharge
12
recharge
12
vdw
12
restraint
12

TandemFEP - v2.4.0 - Latest - TandemAnalytics

Parameters
Submitting these parameters will create a new run: v2.4.0 - (ejm_43 ref)
TandemAnalytics
Internal User Config
sid
mle_ranking
morph_map
Experimental data
Upload/Enter Data
 exp.dat

Frame
/ 2000
Hydrophobic Interaction
Hydrogen Bond
Water Bridge
π-Stacking
π-Cation Interaction
Halogen Bond
Salt Bridge
Metal Complexation

TandemDynamics - run3 - TandemTrajectory

TandemGen - TandemGen

Projects - TandemViz

N#C[C@@H]1C[C@@H]1C(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1

2_stereocenters_labetalol.smi (1 ligands)

Ketcher is a web-based chemical structure editor

Ketcher v2.7.2

All stereochemistry is specified, please click Next to continue.
Specified Stereochemistry (2)
labetalol
labetalol