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Application

Discovery Studio 1.0 Materials Studio 0.9560963048796189 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0635924754453138 Amorphous Cell 0.27434659563842184 Blends 0.002164141834526386 CASTEP 0.3470950557682704 CDOCKER 0.17196603962044282 CHARMm 0.27884135175628433 COMPASS 0.34026968536707175 COMPASS III 0.09189279174296654 COSMObase 0.004328283669052772 COSMOconf 0.00499417346429166 COSMOmic 0.0 COSMOperm 6.65889795238888E-4 COSMOplex 1.66472448809722E-4 COSMOquick 0.00166472448809722 COSMOtherm 0.062260695854836026 Cantera 0.0 Catalyst 0.10121524887631098 Classical Simulations 1.0 Conformers 8.3236224404861E-4 Crystallization 0.07058431829532212 DFTB Plus 0.00416181122024305 DMol3 0.15964707840852338 DPD 0.00249708673214583 Discover 0.003828866322623606 Forcite 0.5212252372232395 GULP 0.01947727651073747 Kinetix 0.0 LUDI 0.004328283669052772 LibDock 0.07158315298818045 LigandFit 0.004328283669052772 MCSS 6.65889795238888E-4 MODELER 0.23722323955385383 MesoDyn 6.65889795238888E-4 Mesocite 0.003495921425004162 Mesoscale 0.006159480605959714 Morphology 0.01581488263692359 ONETEP 9.98834692858332E-4 Polymorph 0.001831196936906942 QMERA 1.66472448809722E-4 QSAR 8.3236224404861E-4 Quantum Mechanics 0.49692025969702014 Reflex 0.051939404028633264 Reflex Plus 6.65889795238888E-4 Semi-empirical 0.005660063259530548 Sorption 0.05360412851673048 Synthia 6.65889795238888E-4 TURBOMOLE 3.32944897619444E-4 VAMP 9.98834692858332E-4 Visualization 0.7722656900283004 X-Cell 0.00166472448809722 ZDOCK 0.02846678874646246

Year

2023 0.14086161879895562 2024 0.45234986945169714 2025 1.0 2026 0.5385117493472585 2027 0.0

Keywords

target 1.0 potential 0.30562857584660585 docking 0.23248801608164527 analysis 0.21354569352095254 visualization 0.1872583887428483 between 0.14867790320086594 novel 0.09865470852017937 binding 0.07615586825421371 promising 0.07569197464048245 energy 0.07383640018555744 cell 0.058527910932426166 activity 0.05087366630586052 stability 0.03958558837173341 performance 0.028065563630740684 including 0.022112262254522962 synthesized 0.021416421833926086 interaction 0.01863306015153858 effective 0.0160816452760167 experimental 0.014458017627957322 development 0.014303386423380238 protein 0.013220967991340652 mechanism 0.012370496366166692 synthesis 0.004097726921292717 strong 6.958404205968764E-4 enhanced 0.0
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