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Application

Discovery Studio 1.0 Materials Studio 0.9618943334245825 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06733110164333536 Amorphous Cell 0.27525867315885577 Blends 0.0025867315885575166 CASTEP 0.4151704199634814 CDOCKER 0.18076688983566647 CHARMm 0.2633901399878271 COMPASS 0.3699026171637249 COMPASS III 0.07379793061472915 COSMObase 0.0028910529519172246 COSMOconf 0.0033475349969567863 COSMOmic 2.282410225197809E-4 COSMOperm 0.0012933657942787583 COSMOplex 3.0432136335970786E-4 COSMOquick 0.0014455264759586123 COSMOtherm 0.06299452221545952 Cantera 7.608034083992696E-5 Catalyst 0.12515216068167986 Classical Simulations 1.0 Conformers 0.0011412051125989045 Crystallization 0.0753195374315277 DFTB Plus 0.005934266585514303 DMol3 0.18944004869141814 DPD 0.0029671332927571517 Discover 0.004793061472915399 Forcite 0.5294430919050518 GULP 0.026475958612294584 Kinetix 2.282410225197809E-4 LUDI 0.005858186244674376 LibDock 0.07280888618381011 LigandFit 0.007912355447352405 MCSS 0.0014455264759586123 MODELER 0.19423311016433353 MesoDyn 0.0015216068167985392 Mesocite 0.004108338405356056 Mesoscale 0.0075319537431527694 Modules 0.0 Morphology 0.017498478393183203 ONETEP 0.0011412051125989045 Polymorph 0.001978088861838101 QMERA 2.282410225197809E-4 QSAR 0.0014455264759586123 Quantum Mechanics 0.5919811320754716 Reflex 0.05546256847230675 Reflex Plus 6.847230675593427E-4 Semi-empirical 0.008064516129032258 Sorption 0.054017041996348145 Synthia 0.0014455264759586123 TURBOMOLE 5.325623858794887E-4 VAMP 0.00174984783931832 Visualization 0.8991935483870968 X-Cell 0.0011412051125989045 ZDOCK 0.0310407790626902

Year

2020 0.00852224305437191 2021 0.22055565024714505 2022 0.29401738537583094 2023 0.4050622123742969 2024 1.0 2025 0.9746037156979717 2026 0.3622805522413499 2027 0.0

Keywords

target 1.0 potential 0.2619024962730358 docking 0.21765470866241635 visualization 0.21508548228502553 analysis 0.1787356868715704 between 0.14999841405779174 novel 0.09981920258825769 energy 0.07993148729660292 binding 0.06971801947537032 cell 0.05557141497763821 activity 0.05243124940527167 promising 0.04291559615567609 interaction 0.0393630856091604 synthesized 0.027880864021315063 experimental 0.02746851904716592 stability 0.0247089796047832 protein 0.01969740222666286 mechanism 0.016462080121800362 effective 0.015700827861832713 development 0.014622387160211883 performance 0.01284613188695404 synthesis 0.012687537666127447 including 0.006978145716370096 chemical 0.0023471944682335777 design 0.0
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