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Application

Discovery Studio 1.0 Materials Studio 0.6625438054009483 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06522535727372664 Amorphous Cell 0.21546353975815316 Blends 0.0029314767314034445 CASTEP 0.3884206669109564 CDOCKER 0.2172957127152803 CHARMm 0.3492121656284353 COMPASS 0.3360205203371198 COMPASS III 0.03334554781971418 COSMObase 0.0 COSMOconf 0.0 COSMOmic 3.6643459142543056E-4 COSMOperm 0.0010993037742762918 COSMOplex 0.0 COSMOquick 0.0010993037742762918 COSMOtherm 0.04727006229388054 Catalyst 0.14584096738732136 Classical Simulations 0.9593257603517772 Conformers 0.0014657383657017222 Crystallization 0.0707218761451081 DFTB Plus 0.003664345914254306 DMol3 0.18688164162696957 DPD 0.0029314767314034445 Discover 0.004763649688530597 Forcite 0.4353242946134115 GULP 0.028948332722609015 Kinetix 0.0 LUDI 0.003664345914254306 LibDock 0.09270795163063393 LigandFit 0.00659582264565775 MCSS 0.0010993037742762918 MODELER 0.3308904360571638 MesoDyn 0.0021986075485525836 Mesocite 0.004030780505679736 Mesoscale 0.008427995602784902 Morphology 0.0131916452913155 ONETEP 0.0014657383657017222 Polymorph 0.0010993037742762918 QMERA 0.0 QSAR 0.0010993037742762918 Quantum Mechanics 0.5639428362037376 Reflex 0.055698057896665445 Semi-empirical 0.00622938805423232 Sorption 0.04287284719677537 Synthia 3.6643459142543056E-4 TURBOMOLE 3.6643459142543056E-4 VAMP 0.001832172957127153 Visualization 1.0 X-Cell 0.0 ZDOCK 0.03627702455111763

Year

2024 0.0

Keywords

target 1.0 potential 0.3035152900828808 docking 0.28065161474707057 visualization 0.21706201771934838 analysis 0.2017719348385253 between 0.13789654186910547 novel 0.10817376393255215 binding 0.09502715061446128 activity 0.07344955701629037 protein 0.04358388110888825 interaction 0.043012289225493 promising 0.04286939125464419 energy 0.03729637039154044 cell 0.021863389539868532 synthesized 0.017862246356101744 synthesis 0.016433266647613604 stability 0.015290082880823092 effective 0.012575021434695627 mechanism 0.011288939697056301 development 0.008430980280080023 vitro 0.007716490425835953 including 0.004858531008859674 silico 0.00471563303801086 compound 0.002000571591883395 experimental 0.0
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