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Application

Discovery Studio 1.0 Materials Studio 0.9702868852459017 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06760080494894537 Amorphous Cell 0.2753223522396959 Blends 0.0026831631512260565 CASTEP 0.4163374822985764 CDOCKER 0.17947380189312068 CHARMm 0.26123574569575914 COMPASS 0.3716180964448088 COMPASS III 0.07304166356115376 COSMObase 0.0028322277707386154 COSMOconf 0.0032794216292762915 COSMOmic 2.2359692926883805E-4 COSMOperm 0.0012670492658567489 COSMOplex 2.981292390251174E-4 COSMOquick 0.0014161138853693077 COSMOtherm 0.06335246329283745 Cantera 7.453230975627935E-5 Catalyst 0.12350003726615488 Classical Simulations 1.0 Conformers 0.0012670492658567489 Crystallization 0.07609748826116121 DFTB Plus 0.006037117090258627 DMol3 0.1912499068346128 DPD 0.0029067600804948946 Discover 0.005142729373183275 Forcite 0.5302973839159275 GULP 0.026831631512260565 Kinetix 2.2359692926883805E-4 LUDI 0.005813520160989789 LibDock 0.07184914660505329 LigandFit 0.007900424834165611 MCSS 0.001490646195125587 MODELER 0.19363494074681376 MesoDyn 0.001714243124394425 Mesocite 0.004173809346351643 Mesoscale 0.007751360214653052 Modules 0.0 Morphology 0.017738689721994483 ONETEP 0.0011179846463441902 Polymorph 0.001937840053663263 QMERA 2.2359692926883805E-4 QSAR 0.001490646195125587 Quantum Mechanics 0.5948423641648655 Reflex 0.05604829693672207 Reflex Plus 6.707907878065141E-4 Semi-empirical 0.008198554073190728 Sorption 0.054557650741596485 Synthia 0.0014161138853693077 TURBOMOLE 5.217261682939554E-4 VAMP 0.0017887754341507044 Visualization 0.8971454125363345 X-Cell 0.0011179846463441902 ZDOCK 0.031005440858612208

Year

2020 0.01992876526458616 2021 0.23295454545454544 2022 0.2931648575305292 2023 0.43775440976933516 2024 1.0 2025 0.9698100407055631 2026 0.36049864314789687 2027 0.0

Keywords

target 1.0 potential 0.259703533360266 docking 0.2151403088971068 visualization 0.2144877093756798 analysis 0.1776313744988968 between 0.15043972777277106 novel 0.09888436558003667 energy 0.08033189347089717 binding 0.06861617825289786 cell 0.055439883153609495 activity 0.051679666863482396 promising 0.042014978712825134 interaction 0.03893843811181205 experimental 0.02744025606762174 synthesized 0.02663227570775972 stability 0.024052953789738648 protein 0.01923614779825352 mechanism 0.01628391186798844 effective 0.014978712825134405 development 0.014699027315951397 performance 0.012834457254731346 synthesis 0.011995400727182325 including 0.0058112433574691565 chemical 0.0030143882656390813 design 0.0
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