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Application

Discovery Studio 1.0 Materials Studio 0.5133298484056456 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08135593220338982 Amorphous Cell 0.28983050847457625 Blends 0.001694915254237288 CASTEP 0.12542372881355932 CDOCKER 0.188135593220339 CHARMm 0.37796610169491524 COMPASS 0.3305084745762712 COMPASS III 0.07796610169491526 COSMObase 0.001694915254237288 COSMOconf 0.00423728813559322 COSMOquick 8.47457627118644E-4 COSMOtherm 0.046610169491525424 Catalyst 0.1016949152542373 Classical Simulations 1.0 Crystallization 0.03474576271186441 DFTB Plus 0.007627118644067797 DMol3 0.1152542372881356 DPD 8.47457627118644E-4 Discover 0.001694915254237288 Forcite 0.47203389830508474 GULP 0.009322033898305085 LUDI 0.005084745762711864 LibDock 0.08305084745762711 LigandFit 8.47457627118644E-4 MODELER 0.30847457627118646 MesoDyn 0.0 Mesocite 0.005084745762711864 Mesoscale 0.005932203389830509 Morphology 0.01440677966101695 ONETEP 0.001694915254237288 Polymorph 8.47457627118644E-4 QMERA 0.0 Quantum Mechanics 0.22966101694915253 Reflex 0.01864406779661017 Semi-empirical 0.00847457627118644 Sorption 0.04745762711864407 Synthia 0.0 Visualization 0.8559322033898306 X-Cell 0.0 ZDOCK 0.061016949152542375

Year

2023 0.21469329529243938 2024 0.6868758915834522 2025 1.0 2026 0.2860199714693295 2027 0.0

Keywords

interaction 1.0 target 0.9369649805447471 between 0.4031128404669261 docking 0.37392996108949417 potential 0.3377431906614786 analysis 0.28521400778210115 binding 0.22490272373540857 visualization 0.2019455252918288 protein 0.09455252918287937 mechanism 0.08443579766536966 energy 0.07976653696498054 stability 0.051361867704280154 cell 0.04824902723735409 novel 0.046303501945525294 activity 0.036575875486381325 including 0.025680933852140077 promising 0.021400778210116732 strong 0.019455252918287938 complex 0.014396887159533073 drug 0.014396887159533073 therapeutic 0.014396887159533073 experimental 0.008560311284046693 effective 0.007782101167315175 development 0.004280155642023347 silico 0.0
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