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Application

Discovery Studio 1.0 Materials Studio 0.9612386989504312 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06758221900975786 Amorphous Cell 0.274376581134803 Blends 0.00281893747741236 CASTEP 0.4158294181423925 CDOCKER 0.18113480303577884 CHARMm 0.26266714853632095 COMPASS 0.3741235995663173 COMPASS III 0.0718467654499458 COSMObase 0.0027466570292735814 COSMOconf 0.0031803397181062523 COSMOmic 2.1684134441633538E-4 COSMOperm 0.0012287676183592338 COSMOplex 3.614022406938923E-4 COSMOquick 0.0015178894109143476 COSMOtherm 0.0631008312251536 Cantera 7.228044813877847E-5 Catalyst 0.1207806288398988 Classical Simulations 1.0 Conformers 0.0011564871702204554 Crystallization 0.07567762920130104 DFTB Plus 0.005854716299241055 DMol3 0.19074810263823636 DPD 0.003035778821828695 Discover 0.004987350921575714 Forcite 0.5298156848572461 GULP 0.026671485363209253 Kinetix 2.1684134441633538E-4 LUDI 0.0059992771955186125 LibDock 0.07228044813877846 LigandFit 0.008312251535959523 MCSS 0.0015901698590531262 MODELER 0.1966028189374774 MesoDyn 0.0016624503071919045 Mesocite 0.004119985543910372 Mesoscale 0.0076617275027105166 Modules 0.0 Morphology 0.01785327069027828 ONETEP 0.0013010480664980124 Polymorph 0.00187929165160824 QMERA 2.1684134441633538E-4 QSAR 0.0014456089627755693 Quantum Mechanics 0.593783881460065 Reflex 0.05565594506685941 Reflex Plus 6.505240332490062E-4 Semi-empirical 0.00795084929526563 Sorption 0.053559812070834836 Synthia 0.0013733285146367907 TURBOMOLE 5.059631369714493E-4 VAMP 0.001734730755330683 Visualization 0.9020599927719551 X-Cell 0.0011564871702204554 ZDOCK 0.03144199494036863

Year

2020 0.05825571549534293 2021 0.25436071126164267 2022 0.29424216765453004 2023 0.48221845893310755 2024 1.0 2025 0.9684165961049958 2026 0.3599491955969517 2027 0.0

Keywords

target 1.0 potential 0.2556874530428249 visualization 0.21541697971450038 docking 0.2149060856498873 analysis 0.1741848234410218 between 0.14999248685199099 novel 0.0989030803906837 energy 0.07924868519909842 binding 0.0687603305785124 cell 0.05529676934635612 activity 0.05187077385424493 promising 0.04 interaction 0.03918858001502629 synthesized 0.026776859504132233 experimental 0.02665664913598798 stability 0.022299023290758828 protein 0.020435762584522916 mechanism 0.016108189331329827 effective 0.014996243425995492 development 0.014455296769346357 synthesis 0.011750563486100676 performance 0.009977460555972952 including 0.004628099173553719 chemical 0.002193839218632607 design 0.0
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