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Application

Discovery Studio 1.0 Materials Studio 0.5287569573283859 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06440677966101695 Amorphous Cell 0.2288135593220339 Blends 0.001694915254237288 CASTEP 0.2864406779661017 CDOCKER 0.20847457627118643 CHARMm 0.39322033898305087 COMPASS 0.288135593220339 COMPASS III 0.10338983050847457 COSMObase 0.005084745762711864 COSMOconf 0.003389830508474576 COSMOmic 0.0 COSMOperm 0.0 COSMOquick 0.0 COSMOtherm 0.07457627118644068 Catalyst 0.13050847457627118 Classical Simulations 1.0 Crystallization 0.04067796610169491 DFTB Plus 0.003389830508474576 DMol3 0.11864406779661017 Discover 0.0 Forcite 0.43898305084745765 GULP 0.015254237288135594 LUDI 0.00847457627118644 LibDock 0.09322033898305085 LigandFit 0.003389830508474576 MCSS 0.0 MODELER 0.4067796610169492 Mesocite 0.003389830508474576 Mesoscale 0.003389830508474576 Morphology 0.00847457627118644 ONETEP 0.001694915254237288 Polymorph 0.0 QSAR 0.0 Quantum Mechanics 0.4033898305084746 Reflex 0.0288135593220339 Semi-empirical 0.003389830508474576 Sorption 0.03559322033898305 Synthia 0.0 Visualization 0.9677966101694915 X-Cell 0.0 ZDOCK 0.0288135593220339

Year

2024 0.3188976377952756 2025 1.0 2026 0.4409448818897638 2027 0.0

Keywords

including 1.0 target 0.9242021276595744 potential 0.44813829787234044 docking 0.3490691489361702 analysis 0.31382978723404253 visualization 0.19481382978723405 binding 0.16489361702127658 promising 0.14029255319148937 novel 0.1196808510638298 between 0.1023936170212766 therapeutic 0.10172872340425532 activity 0.07513297872340426 strong 0.061835106382978726 protein 0.047872340425531915 energy 0.0425531914893617 interaction 0.04055851063829787 stability 0.03590425531914894 silico 0.0339095744680851 development 0.031914893617021274 cell 0.021941489361702128 effective 0.015292553191489361 experimental 0.014627659574468085 treatment 0.011968085106382979 compound 0.007978723404255319 inhibition 0.0
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