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Application

Discovery Studio 0.9710804224207961 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.12055600106923282 Amorphous Cell 0.14621758887997863 Antibody 0.0 Blends 0.002673082063619353 CASTEP 0.5779203421545042 CDOCKER 0.2654370489174018 CHARMm 0.305800588078054 COMPASS 0.34188719593691524 COMPASS III 0.027800053461641272 COSMObase 0.0 COSMOconf 2.673082063619353E-4 COSMOmic 2.673082063619353E-4 COSMOperm 2.673082063619353E-4 COSMOquick 5.346164127238706E-4 COSMOtherm 0.03528468323977546 Catalyst 0.3063352044907779 Classical Simulations 1.0 Conformers 0.0018711574445335472 Crystallization 0.17000801924619086 DFTB Plus 0.006415396952686447 DMol3 0.2678428227746592 DPD 0.006950013365410318 Discover 0.023523122159850307 Equilibria 0.0 Forcite 0.4335739107190591 GULP 0.023255813953488372 LUDI 0.008821170809943865 LibDock 0.06549051055867415 LigandFit 0.027532745255279337 MCSS 0.0037423148890670943 MODELER 0.15503875968992248 MesoDyn 0.0032076984763432237 Mesocite 0.0037423148890670943 Mesoscale 0.01256348569901096 Morphology 0.02058273188986902 ONETEP 2.673082063619353E-4 Polymorph 0.005346164127238706 QMERA 5.346164127238706E-4 QSAR 0.002673082063619353 Quantum Mechanics 0.8315958299919808 Reflex 0.13819834268912057 Reflex Plus 0.0090884790163058 Semi-empirical 0.013900026730820636 Sorption 0.048115477145148355 Synthia 0.002673082063619353 TURBOMOLE 0.0 VAMP 0.006415396952686447 Visualization 0.9492114407912323 X-Cell 0.004276931301790965 ZDOCK 0.006950013365410318

Year

2010 0.007303370786516854 2011 0.03651685393258427 2012 0.07865168539325842 2013 0.12471910112359551 2014 0.15617977528089888 2015 0.2157303370786517 2016 0.2662921348314607 2017 0.33146067415730335 2018 0.3949438202247191 2019 0.49157303370786515 2020 0.5404494382022472 2021 0.6157303370786517 2022 0.702808988764045 2023 0.8488764044943821 2024 1.0 2025 0.9174157303370787 2026 0.298314606741573 2027 0.0

Keywords

synthesized 1.0 target 0.9685243473430846 synthesis 0.31966302536567304 docking 0.23791890390668394 novel 0.2336604332531013 potential 0.18737270875763748 visualization 0.1693204962044066 compound 0.16043325310127754 activity 0.10914645436030365 analysis 0.10572116274763933 between 0.08924273282725421 designed 0.07257915200888725 design 0.06609887057952231 binding 0.05730420292538419 promising 0.056285872986483985 experimental 0.05054619514904647 potent 0.04832438437326421 inhibition 0.04489909276059989 vitro 0.03777078318829846 energy 0.01851508979818552 cell 0.016478429920385115 well 0.016108128124421403 active 0.010368450286983891 chemical 0.0064802814293649326 x-ray 0.0
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