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Application

Discovery Studio 1.0 Materials Studio 0.41181938911022575 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04978305549212149 Amorphous Cell 0.10596026490066225 Blends 2.2836263987211693E-4 CASTEP 0.2712948161680749 CDOCKER 0.21237725508106875 CHARMm 0.34163050924868693 COMPASS 0.16647636446677325 COMPASS III 0.036081297099794477 COSMObase 0.002511989038593286 COSMOconf 0.002511989038593286 COSMOperm 9.134505594884677E-4 COSMOquick 2.2836263987211693E-4 COSMOtherm 0.047042703813656085 Catalyst 0.166019639187029 Classical Simulations 0.6880566339346883 Conformers 0.0013701758392327015 Crystallization 0.03288422014158484 DFTB Plus 0.002511989038593286 DMol3 0.11486640785567481 DPD 6.850879196163508E-4 Discover 0.002511989038593286 Forcite 0.23407170586891984 GULP 0.013473395752454898 Kinetix 4.5672527974423386E-4 LUDI 0.006165791276547157 LibDock 0.09408540762731217 LigandFit 0.007992692395524092 MCSS 4.5672527974423386E-4 MODELER 0.23430006850879195 Mesocite 4.5672527974423386E-4 Mesoscale 0.0013701758392327015 Morphology 0.006622516556291391 ONETEP 4.5672527974423386E-4 Polymorph 0.0011418131993605847 QMERA 0.0 QSAR 9.134505594884677E-4 Quantum Mechanics 0.37862525690796983 Reflex 0.024891527746060745 Semi-empirical 0.004110527517698105 Sorption 0.029230417903630967 Synthia 0.0 TURBOMOLE 2.2836263987211693E-4 VAMP 0.0011418131993605847 Visualization 1.0 X-Cell 6.850879196163508E-4 ZDOCK 0.029915505823247316

Year

2021 0.04844467108618052 2022 0.2299847016828149 2023 0.4844467108618052 2024 0.8903620601733809 2025 1.0 2026 0.21519632840387556 2027 0.0

Keywords

potential 1.0 target 0.9537404744016315 docking 0.38875174412364494 visualization 0.2641408178598261 analysis 0.2611355586562198 binding 0.13673929376408714 novel 0.12214232048942793 promising 0.09327036599763873 activity 0.08339594290007513 between 0.0811419984973704 protein 0.06321777396157562 therapeutic 0.05119673714715037 drug 0.04593753354083933 silico 0.04529354942578083 vitro 0.04357625845229151 stability 0.029623269292690782 treatment 0.02747665557582913 including 0.02661801008908447 compound 0.022539444027047332 interaction 0.01985617688097027 development 0.017494901792422454 inhibition 0.01728024042073629 effective 0.009552431040034346 energy 0.0028979285177632287 synthesized 0.0
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