정수:리간드

Inte:Ligand
Inte:Ligand Gmb
유형사설
산업생명과학
설립됨2003
본부
비엔나
,
오스트리아
서비스 영역
월드와이드
주요인
티에리 랭거(창업자) 게르하르트 울버(창업자) 헤르만 스투프너(창업자) 샤론 D.브라이언트(최고경영자)
상품들LigandScout Essential LigandScout Advanced LigandScout Expert KNIME iLib:다양한 약리학DB
서비스계약연구, 인실리코 도서관 설계,

리드 최적화 지원, 가상 선별, 활동 프로파일링, 3D-Pharmacophore 개발,

과학 소프트웨어 개발
웹사이트www.inteligand.com

Inte:Ligand는 2003년 로어오스트리아(Nederösterreich)의 마리아 엔제르스도르프에서 설립되었다.[1]그들은 같은 해 오스트리아의 비엔나에 머라이어일페스트라세(Mariahilferstraasse)에 회사 본부를 설립했다.

2007년 Inte:리간드는 시뮬레이션 소프트웨어 리간드스코트 개발로 NEE 혁신상(이노베이션프레리스)의 수상자였다.[2][3][4][5]2017년의 더욱 많은보다 1500문학, 책 장과 검토 기사 InteLigand 소프트웨어 기술 가상 screening,[6][7][8]의 3D-pharmacophore modeling,[9][10][11][12]identification,[13][14][15][16][17][18]약용 화학 결정 support,[19][20][21]활동 profiling,[22]도킹, fr를 강타한 지역에서 관련을 발표했다 있었다.Agment-based 화합물 design,[23]protein-protein-interactions,[24]dru.G-파싱[25] 및 분자역학 시뮬레이션.[26][27][28]

다른 응용 프로그램으로는 새로운 Myeloperoxidase ligands,[29] HIV 역순차효소 억제제,[30] 항바이러스 생체활동 프로파일링에 응용,[31] HIV 프로테아제 활동을 예측하는 모델 개발,[32] Cytochrome P450 활동 예측,[33] 인자 Xa 활동에 대한 시뮬레이션 모델 등이 있다.[34]

과학기술

  • LigandScout Essential은 de novo 분자 설계, 구조 기반 및 리간드 기반 3D 약리포어 도출, 분자 3D 정렬, 3D 약리포어 모델링, 가상 선별을 위한 다중 적합성 복합 라이브러리 생성, 복합 라이브러리 주석 달기, 필터링 및 수행 등을 위한 과학 소프트웨어 프로그램이다.분류 및 고급 약리학 및 분자 편집
  • 리간드스코트 어드밴스드(LigandScout Advanced)는 리간드스코트 에센셜 플러스 도킹, 아포 사이트 약리포어 모델링, 포켓 찾기, 분자역학 궤적 분석 등의 모든 기능을 갖춘 과학 소프트웨어 프로그램이다.
  • LigandScout Expert KNIME Extensions는 45개 이상의 Inte를 제공한다.KNIME 확장으로 포장된 리간드 과학 알고리즘은 KNIME 플랫폼을 사용하여 컴퓨터 보조 약물 설계와 관련된 맞춤형 워크플로우를 설계하는 데 사용된다.

참고 항목

기타 약물 검색 소프트웨어를 제공하는 회사 및 기관:

참조

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