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Application

Discovery Studio 1.0 Materials Studio 0.9868796349115802 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06484683794466403 Amorphous Cell 0.27655632411067194 Blends 0.002223320158102767 CASTEP 0.37240612648221344 CDOCKER 0.166501976284585 CHARMm 0.2604990118577075 COMPASS 0.3565958498023715 COMPASS III 0.09053853754940712 COSMObase 0.003952569169960474 COSMOconf 0.004940711462450593 COSMOmic 1.2351778656126481E-4 COSMOperm 0.0012351778656126482 COSMOplex 2.4703557312252963E-4 COSMOquick 0.0014822134387351778 COSMOtherm 0.06422924901185771 Catalyst 0.11141304347826086 Classical Simulations 1.0 Conformers 4.940711462450593E-4 Crystallization 0.07287549407114624 DFTB Plus 0.005434782608695652 DMol3 0.16724308300395258 DPD 0.002099802371541502 Discover 0.0032114624505928855 Forcite 0.5329792490118577 GULP 0.022850790513833992 Kinetix 2.4703557312252963E-4 LUDI 0.003458498023715415 LibDock 0.07225790513833992 LigandFit 0.004940711462450593 MCSS 4.940711462450593E-4 MODELER 0.21269762845849802 MesoDyn 8.646245059288538E-4 Mesocite 0.0032114624505928855 Mesoscale 0.005928853754940711 Modules 0.0 Morphology 0.016798418972332016 ONETEP 7.411067193675889E-4 Polymorph 0.001976284584980237 QMERA 1.2351778656126481E-4 QSAR 8.646245059288538E-4 Quantum Mechanics 0.5282855731225297 Reflex 0.053236166007905136 Reflex Plus 0.0011116600790513835 Semi-empirical 0.00716403162055336 Sorption 0.05632411067193676 Synthia 0.0017292490118577075 TURBOMOLE 3.7055335968379444E-4 VAMP 0.001358695652173913 Visualization 0.8144762845849802 X-Cell 0.001358695652173913 ZDOCK 0.030385375494071148

Year

2022 0.06909808811305071 2023 0.2199709060681629 2024 0.6033873649210307 2025 1.0 2026 0.4415004156275977 2027 0.0

Keywords

target 1.0 potential 0.29017246099096633 docking 0.22595127292636188 analysis 0.20224473035860938 visualization 0.2019162332329592 between 0.15570763755817135 novel 0.10402408978921435 energy 0.08579249931563099 binding 0.07664932931836846 promising 0.06903914590747331 cell 0.06504243087872981 activity 0.05666575417465097 stability 0.04128113879003559 interaction 0.03328770873254859 performance 0.03235696687653983 synthesized 0.030112236517930466 experimental 0.027922255680262797 development 0.02272105119080208 effective 0.02173555981385163 mechanism 0.021133315083493018 including 0.020914316999726252 protein 0.019381330413358884 synthesis 0.011716397481522037 design 0.004106214070626882 enhanced 0.0
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