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Application

Discovery Studio 1.0 Materials Studio 0.9898464431212786 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06889001179046657 Amorphous Cell 0.2748020885969345 Blends 0.0028633990230756273 CASTEP 0.40432878558194374 CDOCKER 0.17306720565942396 CHARMm 0.25880074111504126 COMPASS 0.3702206501600135 COMPASS III 0.07689068553141318 COSMObase 0.0031160518780528885 COSMOconf 0.003621357588007411 COSMOmic 2.5265285497726126E-4 COSMOperm 0.0012632642748863063 COSMOplex 2.5265285497726126E-4 COSMOquick 0.0016001347481893213 COSMOtherm 0.06232103756105777 Cantera 0.0 Catalyst 0.12304194037392623 Classical Simulations 1.0 Conformers 0.001010611419909045 Crystallization 0.07638537982145865 DFTB Plus 0.0055583628094997475 DMol3 0.1851945426983325 DPD 0.0029476166414013814 Discover 0.004126663297961934 Forcite 0.5327606535287182 GULP 0.02543372073437763 Kinetix 2.5265285497726126E-4 LUDI 0.005053057099545225 LibDock 0.07091123463028466 LigandFit 0.007074279939363315 MCSS 0.001010611419909045 MODELER 0.18729998315647634 MesoDyn 0.00134748189321206 Mesocite 0.004210880916287687 Mesoscale 0.00741115041266633 Modules 0.0 Morphology 0.017433046993431026 ONETEP 0.0012632642748863063 Polymorph 0.0018527876031665825 QMERA 1.684352366515075E-4 QSAR 0.00134748189321206 Quantum Mechanics 0.577311773623042 Reflex 0.05659423951490652 Reflex Plus 7.579585649317837E-4 Semi-empirical 0.0074953680309920835 Sorption 0.05583628094997473 Synthia 0.00134748189321206 TURBOMOLE 5.053057099545225E-4 VAMP 0.0016001347481893213 Visualization 0.8678625568468924 X-Cell 0.0012632642748863063 ZDOCK 0.030234124978945596

Year

2020 0.004644234139502278 2021 0.11934805467928496 2022 0.20986680686996145 2023 0.40886785839467227 2024 0.8605853487556958 2025 1.0 2026 0.3725026288117771 2027 0.0

Keywords

target 1.0 potential 0.2671065844211734 docking 0.21596614545976187 visualization 0.21033567637354755 analysis 0.1823626452445847 between 0.152524745373691 novel 0.09987806627456607 energy 0.08295079615550137 binding 0.0695380863577679 cell 0.05791851958112179 activity 0.05185769616984651 promising 0.04841486156935877 interaction 0.037835317744943336 stability 0.03023239133553292 experimental 0.02729163678094965 synthesized 0.02729163678094965 performance 0.0188280017214173 mechanism 0.018254195954669344 protein 0.017680390187921387 effective 0.017321761583703917 development 0.016281738631473246 synthesis 0.012157509682972314 including 0.009969875197245731 design 5.020800459044613E-4 chemical 0.0
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