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Application

Discovery Studio 1.0 Materials Studio 0.9857688302672684 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0670973696354407 Amorphous Cell 0.276603599446239 Blends 0.002399630826026765 CASTEP 0.39206275957544995 CDOCKER 0.17065066912782648 CHARMm 0.2607291185971389 COMPASS 0.36280572219658513 COMPASS III 0.08001845869866174 COSMObase 0.0033225657591139826 COSMOconf 0.003876326718966313 COSMOmic 2.768804799261652E-4 COSMOperm 0.0013844023996308261 COSMOplex 2.768804799261652E-4 COSMOquick 0.0014766958929395477 COSMOtherm 0.06266728195662206 Cantera 0.0 Catalyst 0.12450392247346562 Classical Simulations 1.0 Conformers 0.0010152284263959391 Crystallization 0.07466543608675588 DFTB Plus 0.0055376095985233045 DMol3 0.17775726811259807 DPD 0.0026765113059529304 Discover 0.0035994462390401476 Forcite 0.5332718043377942 GULP 0.024550069220119982 Kinetix 2.768804799261652E-4 LUDI 0.005076142131979695 LibDock 0.0713428703276419 LigandFit 0.006645131518227965 MCSS 9.229349330872173E-4 MODELER 0.18615597600369174 MesoDyn 0.0012921089063221043 Mesocite 0.0035994462390401476 Mesoscale 0.00692201199815413 Modules 0.0 Morphology 0.017258883248730966 ONETEP 0.0010152284263959391 Polymorph 0.0018458698661744347 QMERA 1.8458698661744346E-4 QSAR 0.0011075219197046607 Quantum Mechanics 0.5580064605445316 Reflex 0.05491462851868943 Reflex Plus 8.306414397784956E-4 Semi-empirical 0.007291185971389017 Sorption 0.05583756345177665 Synthia 0.0013844023996308261 TURBOMOLE 5.537609598523304E-4 VAMP 0.0013844023996308261 Visualization 0.8538994000922935 X-Cell 0.0012921089063221043 ZDOCK 0.02934933087217351

Year

2021 0.030063291139240507 2022 0.169831223628692 2023 0.3679676511954993 2024 0.7521097046413502 2025 1.0 2026 0.3736814345991561 2027 0.0

Keywords

target 1.0 potential 0.276621981781296 docking 0.22288078284736862 visualization 0.21086757627590597 analysis 0.19069970961454313 between 0.15390429213572537 novel 0.10326584191893075 energy 0.0858427145073392 binding 0.0749830939973746 cell 0.06205497434265484 promising 0.055650582759855204 activity 0.05469589084689128 interaction 0.039341262580054895 stability 0.03488603365288993 synthesized 0.03090815068220693 experimental 0.02911810334539958 performance 0.025339114523250727 effective 0.021599904530808702 mechanism 0.020963443255499422 protein 0.020326981980190142 development 0.018696049962210113 including 0.01599108954214567 synthesis 0.01539440709654322 design 0.0025856239309439517 chemical 0.0
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