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Application

Discovery Studio 0.867044738500315 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.033672670321064996 Amorphous Cell 0.2913077525450274 Blends 7.830853563038371E-4 CASTEP 0.34534064212999216 CDOCKER 0.1667971808927173 CHARMm 0.28660924040720437 COMPASS 0.34299138606108065 COMPASS III 0.09162098668754894 COSMObase 0.008613938919342208 COSMOconf 0.003915426781519186 COSMOperm 7.830853563038371E-4 COSMOplex 7.830853563038371E-4 COSMOquick 0.0023492560689115116 COSMOtherm 0.09240407204385279 Catalyst 0.21221613155833985 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.0908379013312451 DFTB Plus 0.00548159749412686 DMol3 0.20595144870790916 DPD 7.830853563038371E-4 Discover 0.0023492560689115116 Forcite 0.5176194205168363 GULP 0.02427564604541895 Kinetix 0.0 LUDI 0.006264682850430697 LibDock 0.07282693813625685 LigandFit 0.003915426781519186 MCSS 7.830853563038371E-4 MODELER 0.1519185591229444 MesoDyn 7.830853563038371E-4 Mesocite 0.0015661707126076742 Mesoscale 0.004698512137823023 Morphology 0.0274079874706343 ONETEP 0.0 Polymorph 7.830853563038371E-4 QMERA 7.830853563038371E-4 QSAR 0.004698512137823023 Quantum Mechanics 0.5387627251370399 Reflex 0.06108065779169929 Reflex Plus 7.830853563038371E-4 Semi-empirical 0.009397024275646046 Sorption 0.0548159749412686 Synthia 0.0031323414252153485 VAMP 0.0015661707126076742 Visualization 0.59592795614722 ZDOCK 0.025841816758026624

Year

2022 0.024356297842727904 2023 0.2950591510090466 2024 0.5038274182324287 2025 1.0 2026 0.48434237995824636 2027 0.0

Keywords

design 1.0 target 0.9306338028169014 potential 0.23028169014084507 novel 0.19295774647887323 synthesis 0.18204225352112677 docking 0.1658450704225352 between 0.12183098591549296 synthesized 0.11830985915492957 analysis 0.11584507042253521 promising 0.10316901408450704 visualization 0.09964788732394367 performance 0.09084507042253522 development 0.08838028169014084 energy 0.08169014084507042 activity 0.07394366197183098 cell 0.07394366197183098 compound 0.05352112676056338 designed 0.05035211267605634 binding 0.04295774647887324 stability 0.039084507042253525 effective 0.02323943661971831 strategy 0.02112676056338028 efficient 0.004225352112676056 including 3.5211267605633805E-4 potent 0.0
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