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Application

Discovery Studio 1.0 Materials Studio 0.5956467141063206 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.045205479452054796 Amorphous Cell 0.2328767123287671 Blends 0.0013698630136986301 CASTEP 0.23013698630136986 CDOCKER 0.23904109589041095 CHARMm 0.37465753424657533 COMPASS 0.28013698630136985 COMPASS III 0.10890410958904109 COSMObase 0.0027397260273972603 COSMOconf 0.008904109589041096 COSMOmic 0.0 COSMOperm 6.849315068493151E-4 COSMOplex 6.849315068493151E-4 COSMOtherm 0.05958904109589041 Catalyst 0.10342465753424658 Classical Simulations 1.0 Conformers 6.849315068493151E-4 Crystallization 0.06986301369863014 DFTB Plus 0.0027397260273972603 DMol3 0.10616438356164383 DPD 0.002054794520547945 Discover 0.0027397260273972603 Forcite 0.4520547945205479 GULP 0.00821917808219178 Kinetix 0.0 LUDI 0.002054794520547945 LibDock 0.09383561643835617 LigandFit 0.004794520547945206 MODELER 0.3321917808219178 Mesocite 0.00410958904109589 Mesoscale 0.005479452054794521 Morphology 0.017123287671232876 ONETEP 0.0013698630136986301 Polymorph 0.002054794520547945 Quantum Mechanics 0.33493150684931505 Reflex 0.04794520547945205 Reflex Plus 0.0 Semi-empirical 0.0027397260273972603 Sorption 0.05547945205479452 Synthia 0.0013698630136986301 TURBOMOLE 0.0 Visualization 0.8684931506849315 X-Cell 0.0 ZDOCK 0.04041095890410959

Year

2024 0.0 2025 1.0 2026 0.6476997578692494 2027 0.0036319612590799033

Keywords

target 1.0 potential 0.32920863309352516 docking 0.28 analysis 0.21553956834532373 visualization 0.19079136690647483 binding 0.10762589928057555 novel 0.10129496402877698 between 0.09381294964028777 promising 0.0897841726618705 activity 0.07597122302158274 therapeutic 0.04287769784172662 including 0.036546762589928054 cell 0.03136690647482014 stability 0.027913669064748202 strong 0.02474820143884892 development 0.02302158273381295 protein 0.0181294964028777 energy 0.016115107913669064 synthesized 0.008057553956834532 effective 0.006906474820143885 mechanism 0.006330935251798561 inhibition 0.002302158273381295 silico 0.0017266187050359713 interaction 5.755395683453237E-4 vitro 0.0
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