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Application

Discovery Studio 1.0 Materials Studio 0.9722096445551279 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06709537460292864 Amorphous Cell 0.2766715735647323 Blends 0.002479274812117456 CASTEP 0.4098551173781669 CDOCKER 0.17781049043154878 CHARMm 0.26086619663748356 COMPASS 0.370806539087317 COMPASS III 0.07445572170140234 COSMObase 0.0029441388393894787 COSMOconf 0.003331525528782831 COSMOmic 2.3243201363601146E-4 COSMOperm 0.0013171147439373983 COSMOplex 3.09909351514682E-4 COSMOquick 0.0013945920818160687 COSMOtherm 0.06322150770899512 Cantera 7.74773378786705E-5 Catalyst 0.12404121794375145 Classical Simulations 1.0 Conformers 0.0011621600681800573 Crystallization 0.07554040443170372 DFTB Plus 0.0058882776787789574 DMol3 0.18664290694971722 DPD 0.003021616177268149 Discover 0.0047261176105989 Forcite 0.5316494925234369 GULP 0.026109862865111955 Kinetix 2.3243201363601146E-4 LUDI 0.005810800340900287 LibDock 0.07174401487564887 LigandFit 0.0074378244363523666 MCSS 0.0013945920818160687 MODELER 0.18989695514062138 MesoDyn 0.0017045014333307508 Mesocite 0.0041062989075695356 Mesoscale 0.007747733787867049 Modules 0.0 Morphology 0.017897265049972882 ONETEP 9.297280545440458E-4 Polymorph 0.002014410784845433 QMERA 2.3243201363601146E-4 QSAR 0.0013171147439373983 Quantum Mechanics 0.5837142635779035 Reflex 0.05524134190749206 Reflex Plus 6.972960409080344E-4 Semi-empirical 0.007980165801503061 Sorption 0.054156659177190675 Synthia 0.0013945920818160687 TURBOMOLE 5.423413651506934E-4 VAMP 0.0017045014333307508 Visualization 0.8881227241031998 X-Cell 0.0011621600681800573 ZDOCK 0.030448593786317504

Year

2020 0.020049028191209947 2021 0.16511994396778149 2022 0.29889686569777624 2023 0.42181754508842584 2024 0.9865172474172649 2025 1.0 2026 0.3721765014883558 2027 0.0

Keywords

target 1.0 potential 0.26205908217438034 docking 0.21711233429957985 visualization 0.21369247304823633 analysis 0.17936358010617856 between 0.14985506302315735 novel 0.09976223821776374 energy 0.0813926977819757 binding 0.07002573038465297 cell 0.05722567827248152 activity 0.05165618994886493 promising 0.043187962088395274 interaction 0.038790997622382174 synthesized 0.02804286226101684 experimental 0.027456600332215093 stability 0.025567534117187245 protein 0.01973748493632544 mechanism 0.016643324756538447 effective 0.015926782399114093 development 0.014786828648666255 performance 0.01472168843435495 synthesis 0.01218122007621405 including 0.008044816467446179 chemical 0.0013679445005374067 design 0.0
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