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Application

Discovery Studio 1.0 Materials Studio 0.496900826446281 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.033210332103321034 Amorphous Cell 0.2066420664206642 Blends 0.0 CASTEP 0.1918819188191882 CDOCKER 0.2915129151291513 CHARMm 0.45387453874538747 COMPASS 0.25092250922509224 COMPASS III 0.06273062730627306 COSMObase 0.0 COSMOconf 0.0018450184501845018 COSMOmic 0.0 COSMOperm 0.0018450184501845018 COSMOplex 0.0 COSMOquick 0.0036900369003690036 COSMOtherm 0.046125461254612546 Catalyst 0.13653136531365315 Classical Simulations 1.0 Crystallization 0.05166051660516605 DFTB Plus 0.0018450184501845018 DMol3 0.13099630996309963 Forcite 0.39114391143911437 GULP 0.012915129151291513 LUDI 0.00922509225092251 LibDock 0.1088560885608856 LigandFit 0.00922509225092251 MODELER 0.37084870848708484 MesoDyn 0.0 Mesocite 0.0018450184501845018 Mesoscale 0.0036900369003690036 Morphology 0.01107011070110701 ONETEP 0.0018450184501845018 Polymorph 0.0 QSAR 0.0018450184501845018 Quantum Mechanics 0.3191881918819188 Reflex 0.03690036900369004 Semi-empirical 0.0018450184501845018 Sorption 0.033210332103321034 Visualization 0.8339483394833949 X-Cell 0.0 ZDOCK 0.05350553505535055

Year

2024 0.0 2025 1.0 2026 0.32085561497326204

Keywords

development 1.0 target 0.9170616113744076 potential 0.4067930489731438 docking 0.29778830963665087 novel 0.23459715639810427 analysis 0.2211690363349131 promising 0.17298578199052134 visualization 0.14770932069510267 binding 0.11769352290679305 between 0.09004739336492891 therapeutic 0.07898894154818326 activity 0.0679304897314376 design 0.045813586097946286 effective 0.044233807266982623 including 0.0315955766192733 cell 0.02764612954186414 protein 0.02448657187993681 compound 0.016587677725118485 strong 0.016587677725118485 inhibition 0.015007898894154818 stability 0.015007898894154818 drug 0.009478672985781991 treatment 0.008688783570300158 synthesized 7.898894154818325E-4 potent 0.0
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