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Application

Discovery Studio 1.0 Materials Studio 0.9772699573430835 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.068654990085922 Amorphous Cell 0.27437210839391935 Blends 0.0028089887640449437 CASTEP 0.4027594183740912 CDOCKER 0.17564441506939854 CHARMm 0.2605750165234633 COMPASS 0.3694646397884997 COMPASS III 0.07625578321216127 COSMObase 0.0031394580304031725 COSMOconf 0.0035525446133509585 COSMOmic 2.4785194976867153E-4 COSMOperm 0.0012392597488433575 COSMOplex 2.4785194976867153E-4 COSMOquick 0.0015697290152015863 COSMOtherm 0.06303701255783212 Cantera 0.0 Catalyst 0.12400859220092532 Classical Simulations 1.0 Conformers 9.914077990746861E-4 Crystallization 0.07551222736285526 DFTB Plus 0.005535360211500331 DMol3 0.18531064111037673 DPD 0.002974223397224058 Discover 0.004296100462656973 Forcite 0.5315598149372108 GULP 0.025859220092531394 Kinetix 2.4785194976867153E-4 LUDI 0.00495703899537343 LibDock 0.07154659616655651 LigandFit 0.007105089226701917 MCSS 9.914077990746861E-4 MODELER 0.18588896232650365 MesoDyn 0.0014044943820224719 Mesocite 0.004213483146067416 Mesoscale 0.0075181758096497025 Modules 0.0 Morphology 0.017184401850627893 ONETEP 0.0013218770654329147 Polymorph 0.0018175809649702578 QMERA 1.6523463317911433E-4 QSAR 0.0013218770654329147 Quantum Mechanics 0.575925313945803 Reflex 0.05601454064771976 Reflex Plus 7.435558493060145E-4 Semi-empirical 0.007435558493060146 Sorption 0.055684071381361534 Synthia 0.0014044943820224719 TURBOMOLE 4.957038995373431E-4 VAMP 0.0015697290152015863 Visualization 0.876487111698612 X-Cell 0.0012392597488433575 ZDOCK 0.03089887640449438

Year

2020 0.004640168096655577 2021 0.11933111539135002 2022 0.24715461390299423 2023 0.41271230957800736 2024 0.8844335492908423 2025 1.0 2026 0.3721765014883558 2027 0.0

Keywords

target 1.0 potential 0.26707791525007885 docking 0.2175528372647296 visualization 0.21215519960744453 analysis 0.18141670463706144 between 0.15197504468823386 novel 0.10034699099225404 energy 0.08205110230976832 binding 0.06971364480740247 cell 0.057656584066454034 activity 0.052329045599523324 promising 0.046896358347061094 interaction 0.03834425712383022 stability 0.028775717640461253 synthesized 0.027724229785145982 experimental 0.026532543549122007 protein 0.018506186253548773 mechanism 0.017840243945182434 performance 0.017314500017524798 effective 0.01713925204163892 development 0.016438260138095406 synthesis 0.012687953454137604 including 0.010059233815849427 design 4.906943324804599E-4 chemical 0.0
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