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Application

Discovery Studio 1.0 Materials Studio 0.9723170950925759 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0676489742754803 Amorphous Cell 0.27751546727450344 Blends 0.00244220123738196 CASTEP 0.401579290133507 CDOCKER 0.1750244220123738 CHARMm 0.2604200586128297 COMPASS 0.36909801367632694 COMPASS III 0.07587105177466623 COSMObase 0.0030934549006838164 COSMOconf 0.0035004884402474764 COSMOmic 2.4422012373819603E-4 COSMOperm 0.0013839140345164442 COSMOplex 3.2562683165092806E-4 COSMOquick 0.001465320742429176 COSMOtherm 0.06317160534028005 Cantera 0.0 Catalyst 0.12658743080429827 Classical Simulations 1.0 Conformers 9.768804949527841E-4 Crystallization 0.0755454249430153 DFTB Plus 0.005779876261803972 DMol3 0.18202539889286878 DPD 0.0031748616085965483 Discover 0.004151742103549332 Forcite 0.5322370563334419 GULP 0.025643112992510583 Kinetix 2.4422012373819603E-4 LUDI 0.005210029306414849 LibDock 0.07131227613155323 LigandFit 0.006838163464669489 MCSS 0.001058287202865516 MODELER 0.1846304135460762 MesoDyn 0.0016281341582546401 Mesocite 0.004314555519374796 Mesoscale 0.007977857375447737 Modules 0.0 Morphology 0.01750244220123738 ONETEP 9.768804949527841E-4 Polymorph 0.0020351676978183 QMERA 2.4422012373819603E-4 QSAR 0.00122110061869098 Quantum Mechanics 0.5718821230869424 Reflex 0.055600781504395964 Reflex Plus 7.32660371214588E-4 Semi-empirical 0.007815043959622273 Sorption 0.05462390100944318 Synthia 0.0013839140345164442 TURBOMOLE 5.698469553891241E-4 VAMP 0.0016281341582546401 Visualization 0.879680885704982 X-Cell 0.00122110061869098 ZDOCK 0.029876261803972647

Year

2021 0.10041181109261368 2022 0.29562779286778235 2023 0.3790414439674056 2024 0.9411197756943835 2025 1.0 2026 0.37246999036186806 2027 0.0

Keywords

target 1.0 potential 0.26683429201253744 docking 0.2207832466503634 visualization 0.2136534288568181 analysis 0.18286088244411533 between 0.15117280336169187 novel 0.10126407880687494 energy 0.08276788482072125 binding 0.07253814624737367 cell 0.059518478972204046 activity 0.05342196810525953 promising 0.04691213446767471 interaction 0.03978231667412944 synthesized 0.03017256225674233 stability 0.029655908793441946 experimental 0.028657045431061207 protein 0.02052836427513519 mechanism 0.01846175042193366 effective 0.01818620190817346 performance 0.018117314779733405 development 0.016980677160472565 synthesis 0.013984087073330348 including 0.011056384114628181 design 5.510970275204078E-4 chemical 0.0
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