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Application

Discovery Studio 0.8347757671125098 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04753199268738574 Amorphous Cell 0.2861060329067642 Blends 0.0018281535648994515 CASTEP 0.2522851919561243 CDOCKER 0.1453382084095064 CHARMm 0.226691042047532 COMPASS 0.3446069469835466 COMPASS III 0.13345521023765997 COSMObase 0.0018281535648994515 COSMOconf 0.010054844606946984 COSMOmic 0.0 COSMOperm 0.0 COSMOplex 0.0 COSMOtherm 0.06398537477148081 Catalyst 0.06946983546617916 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.08043875685557587 DFTB Plus 0.0018281535648994515 DMol3 0.11243144424131626 DPD 0.0018281535648994515 Discover 0.002742230347349177 Forcite 0.5585009140767825 GULP 0.008226691042047532 Kinetix 0.0 LUDI 0.0 LibDock 0.054844606946983544 LigandFit 0.002742230347349177 MODELER 0.20658135283363802 Mesocite 0.004570383912248629 Mesoscale 0.006398537477148081 Morphology 0.02010968921389397 ONETEP 0.0018281535648994515 Polymorph 9.140767824497258E-4 Quantum Mechanics 0.36380255941499084 Reflex 0.056672760511883 Semi-empirical 0.0018281535648994515 Sorption 0.06398537477148081 Synthia 9.140767824497258E-4 TURBOMOLE 0.0 Visualization 0.5630712979890311 ZDOCK 0.021937842778793418

Year

2025 0.7998575498575499 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.2829711975745326 analysis 0.19252147549267307 docking 0.18999494694290045 between 0.13542193026781202 visualization 0.1278423446184942 promising 0.08691258211217787 cell 0.0808489135927236 novel 0.07478524507326932 energy 0.06872157655381506 binding 0.05457301667508843 performance 0.053562405255179385 stability 0.040929762506316324 activity 0.0404244567963618 strategy 0.03436078827690753 strong 0.03031834259727135 enhanced 0.0202122283981809 including 0.019201616978271854 mechanism 0.01869631126831733 development 0.01616978271854472 effective 0.01616978271854472 synthesized 0.013643254168772108 design 0.012632642748863061 therapeutic 0.011622031328954016 experimental 0.0
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