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Application

Discovery Studio 1.0 Materials Studio 0.6333595594020456 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06430446194225722 Amorphous Cell 0.24015748031496062 Blends 0.003937007874015748 CASTEP 0.34120734908136485 CDOCKER 0.19028871391076116 CHARMm 0.35958005249343833 COMPASS 0.3110236220472441 COMPASS III 0.09973753280839895 COSMObase 0.006561679790026247 COSMOconf 0.006561679790026247 COSMOmic 0.0 COSMOperm 0.0 COSMOquick 0.0013123359580052493 COSMOtherm 0.09317585301837271 Catalyst 0.1194225721784777 Classical Simulations 1.0 Crystallization 0.045931758530183726 DFTB Plus 0.007874015748031496 DMol3 0.13385826771653545 DPD 0.0013123359580052493 Discover 0.0 Forcite 0.4671916010498688 GULP 0.02230971128608924 Kinetix 0.0 LUDI 0.007874015748031496 LibDock 0.08530183727034121 LigandFit 0.0026246719160104987 MCSS 0.0 MODELER 0.3674540682414698 Mesocite 0.005249343832020997 Mesoscale 0.006561679790026247 Morphology 0.009186351706036745 ONETEP 0.0013123359580052493 Polymorph 0.0 QSAR 0.0013123359580052493 Quantum Mechanics 0.47112860892388453 Reflex 0.03280839895013123 Reflex Plus 0.0 Semi-empirical 0.007874015748031496 Sorption 0.04330708661417323 Synthia 0.0 Visualization 0.9173228346456693 X-Cell 0.0 ZDOCK 0.026246719160104987

Year

2023 7.751937984496124E-4 2024 0.4170542635658915 2025 1.0 2026 0.3643410852713178 2027 0.0

Keywords

including 1.0 target 0.9369877049180327 potential 0.41956967213114754 docking 0.3165983606557377 analysis 0.3078893442622951 visualization 0.18545081967213115 binding 0.14395491803278687 promising 0.13422131147540983 between 0.11987704918032786 novel 0.11372950819672131 therapeutic 0.08145491803278689 activity 0.06711065573770492 energy 0.06147540983606557 strong 0.048668032786885244 stability 0.04815573770491803 protein 0.04764344262295082 interaction 0.039959016393442626 development 0.03637295081967213 cell 0.03227459016393443 experimental 0.03125 silico 0.03125 effective 0.02151639344262295 treatment 0.0117827868852459 compound 0.00665983606557377 chemical 0.0
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