전남대학교 중앙도서관

도서관안내
시설안내
정보마루안내
4F
전자자료 상세검색

전자자료 상세검색

통합검색
소장자료
전자자료

통합검색

결과내 검색

검색어 [키워드: "Steinbrecher, Thomas"]

총 206건

※ 중복 레코드가 제거된 검색 결과가 표시됩니다.

1/21 페이지

검색결과수정

검색범위확장
- Full Text내 키워드 확장
- 관련 주제어 확장
재검색
검색결과제한
- 원문(Full Text)
- Peer-Reviewed 학술지
- 발행년 -
재검색
자료유형
- Academic Journals (185)
- Magazines (19)
- Books (1)
주제
- molecular dynamics (30)
- proteins (17)
- molecular dynamics simulation (14)
주제

Count Name
- molecular dynamics (30)
- proteins (17)
- molecular dynamics simulation (14)
- thermodynamics (13)
- drug discovery (11)
- force-field (10)
- molecular-dynamics simulations (10)
- molecular-dynamics (9)
- amino acids (8)
- charge transfer (8)
- drug design (8)
- gramicidin s (8)
- computational biology (7)
- free-energy calculations (7)
- ligand-binding (7)
- peptidomimetics (7)
- prediction (7)
- free energy calculations (6)
- ion channels (6)
- particle mesh ewald (6)
- peptides (6)
- protein structure (6)
- amber force-field (5)
- antimicrobial agents (5)
- biophysics (5)
- diarylethenes (5)
- dynamics (5)
- free energy calculation (5)
- free energy perturbation (5)
- ligand binding (biochemistry) (5)
- ligands (biochemistry) (5)
- molecules (5)
- protein (5)
- protein binding (5)
- protein folding (5)
- thermodynamic integration (5)
- antimikrobielle wirkstoffe (4)
- binding mode (4)
- biochemistry (4)
- biotechnology (4)
- chemistry (4)
- chromophores (4)
- complex (4)
- computational chemistry (4)
- crystal-structure (4)
- d-amino acid oxidase (4)
- density-functional theory (4)
- diarylethene (4)
- digital terrain analysis (4)
- dna (4)
닫기
Lexile Range
- 1301-1500+ (5)
- 901-1100 (1)
간행물
- journal of physical chemistry b (26)
- biophysical journal (12)
- journal of computational chemistry (12)
간행물

Count Name
- journal of physical chemistry b (26)
- biophysical journal (12)
- journal of computational chemistry (12)
- plos one (12)
- journal of chemical information and modeling (10)
- journal of chemical theory and computation (9)
- journal of molecular biology (6)
- journal of the american chemical society (6)
- abstracts of papers of the american chemical society (5)
- angewandte chemie international edition (5)
- bioorganic & medicinal chemistry (5)
- communications biology (5)
- erdkunde (5)
- planta medica (5)
- angewandte chemie (4)
- carbohydrate research (4)
- journal of chemical physics (4)
- physical chemistry chemical physics pccp (4)
- chem (3)
- chemical biology & drug design (3)
- chemmedchem (3)
- current medicinal chemistry (3)
- febs letters (3)
- human mutation (3)
- international journal of quantum chemistry (3)
- journal of computer-aided molecular design (3)
- physical chemistry chemical physics (3)
- physical chemistry chemical physics (pccp) (3)
- acs medicinal chemistry letters (2)
- acs omega (2)
- bioorganic medicinal chemistry (2)
- journal of chemical information & modeling (2)
- journal of cheminformatics (2)
- journal of medicinal chemistry (2)
- journal of organic chemistry (2)
- journal of physical chemistry a (2)
- polycyclic aromatic compounds (2)
- angewandte chemie international ed in english (1)
- angewandte chemie-international edition (1)
- bba - bioenergetics (1)
- biochimica et biophysica acta (1)
- biochimica et biophysica acta-bioenergetics (1)
- biomolecular simulations (1)
- chemical biology and drug design (1)
- environmental health perspectives (1)
- journal of computer-aided molecular design: incorporating perspectives in drug discovery and design (1)
- journal of the chemical society, perkin transactions 1 (0300922x) (1)
- proceedings of spie (1)
- zeitschrift fur physikalische chemie (1)
- zeitschrift fur physikalische chemie: international journal of research in physical chemistry and chemical physics (1)
닫기
출판사
- american chemical society (37)
- wiley-blackwell (26)
- amer chemical soc (23)
출판사

Count Name
- american chemical society (37)
- wiley-blackwell (26)
- amer chemical soc (23)
- public library of science (9)
- cell press (8)
- royal society of chemistry (7)
- wiley (6)
- springer nature (5)
- elsevier (4)
- elsevier b.v. (4)
- american institute of physics (3)
- elsevier ltd (3)
- public library science (3)
- royal soc chemistry (3)
- academic press inc. (2)
- academic press ltd- elsevier science ltd (2)
- elsevier science (2)
- escholarship, university of california (2)
- nature publishing group uk (2)
- springer (2)
- springer international publishing (2)
- universitaet bonn, geographisches institut (2)
- wiley-v c h verlag gmbh (2)
- wiley-vch (2)
- amer inst physics (1)
- amer physical soc (1)
- bentham science publ ltd (1)
- bentham science publishers (1)
- biomed central (1)
- boss druck medien gmbh (1)
- de gruyter oldenbourg (1)
- elsevier inc. (1)
- elsevier pub. co (1)
- elsevier sci ltd (1)
- elsevier science bv (1)
- georg thieme verlag kg (1)
- georg thieme verlag stuttgart (1)
- george thieme (1)
- hindawi limited (1)
- humana press (1)
- john wiley & sons ltd (1)
- nature publishing group (1)
- oldenbourg verlag (1)
- pergamon-elsevier science ltd (1)
- taylor & francis ltd (1)
- univ bonn, geographisches inst (1)
- wiley-liss (1)
닫기
언어
- english (186)
Publication Year
- 2014 (6)
- 2012 (5)
- 2013 (4)
Publication Year

Count Name
- 2014 (6)
- 2012 (5)
- 2013 (4)
- 2018 (4)
- 2015 (3)
- 2011 (2)
- 2017 (2)
- 1995 (1)
- 2002 (1)
- 2007 (1)
- 2008 (1)
- 2020 (1)
닫기
수록데이터베이스
- Science Citation Index Expanded (56)
- MEDLINE (50)
- Academic Search Complete (31)
수록데이터베이스

Count Name
- Science Citation Index Expanded (56)
- MEDLINE (50)
- Academic Search Complete (31)
- Supplemental Index (28)
- Complementary Index (26)
- ScienceDirect (4)
- Springer Nature Journals (3)
- eScholarship (2)
- JSTOR Journals (2)
- Journals@OVID (1)
- De Gruyter Online (1)
- Social Sciences Citation Index (1)
- USPTO Patent Grants (1)
닫기

PQDT
CAJ
RISS
PsycINFO

전체선택

SPATIAL ANALYSIS OF HOLLOW WAYS IN THE HILDESHEIMER WALD MOUNTAINS (LOWER SAXONY, GERMANY) AS A MODEL FOR MOUNTAINOUS REGIONS OF CENTRAL EUROPE

학술저널

issue: Erdkunde, 2020 Jan 01. 74(1), 1-14.
Author: Kirchner, André
Herrmann, Nico
Stadtmann, Robin
Lahmer, Timo
Hill, Lisa-Marie
Steinbrecher, Thomas
Sauerwein, Martin
DB Label: Database : JSTOR Journals

원문보기: 조회 - Impact Factor (JCR) 등재 - Web of Science (SCIE) 등재 - SCOPUS

Accurate and Reliable Prediction of Relative Ligand Binding Potency in Prospective Drug Discovery by Way of a Modern Free-Energy Calculation Protocol and Force Field

학술저널

issue: Journal of the American Chemical Society. 137(7)
Author: Wang, Lingle
Wu, Yujie
Deng, Yuqing
Kim, Byungchan
Pierce, Levi
Krilov, Goran
Lupyan, Dmitry
Robinson, Shaughnessy
Dahlgren, Markus K
Greenwood, Jeremy
Romero, Donna L
Masse, Craig
Knight, Jennifer L
Steinbrecher, Thomas
Beuming, Thijs
Damm, Wolfgang
Harder, Ed
Sherman, Woody
Brewer, Mark
Wester, Ron
Murcko, Mark
Frye, Leah
Farid, Ramy
Lin, Teng
Mobley, David L
Jorgensen, William L
Berne, Bruce J
Friesner, Richard A
Abel, Robert
DB Label: Database : eScholarship

원문보기: Open Access (eScholarship)

A Water-Bridged Cysteine-Cysteine Redox Regulation Mechanism in Bacterial Protein Tyrosine Phosphatases

학술저널

issue: In Chem 12 October 2017 3(4):665-677
Author: Bertoldo, Jean B.
Rodrigues, Tiago
Dunsmore, Lavinia
Aprile, Francesco A.
Marques, Marta C.
Rosado, Leonardo A.
Boutureira, Omar
Steinbrecher, Thomas B.
Sherman, Woody
Corzana, Francisco
Terenzi, Hernán
Bernardes, Gonçalo J.L.
DB Label: Database : ScienceDirect

원문보기: Full Text (ScienceDirect O/A) 조회 - Impact Factor (JCR) 등재 - Web of Science (SCIE) 등재 - SCOPUS

Validation of tautomeric and protomeric binding modes by free energy calculations. A case study for the structure based optimization of d-amino acid oxidase inhibitors

학술저널

issue: Journal of Computer-Aided Molecular Design: Incorporating Perspectives in Drug Discovery and Design. 32(2):331-345
Author: Orgován, Zoltán
Ferenczy, György G.
Steinbrecher, Thomas
Szilágyi, Bence
Bajusz, Dávid
Keserű, György M.^Aff1
DB Label: Database : Springer Nature Journals

원문보기: Full Text (원문보기) 조회 - Impact Factor (JCR) 등재 - Web of Science (SCIE) 등재 - SCOPUS

Stereoselective synthesis and molecular modeling of chiral cyclopentanes

학술저널

issue: In Carbohydrate Research 13 October 2015 415:12-16
Author: Abdel-Jalil, Raid J. ^*
Steinbrecher, Thomas
Al-Harthy, Thuraya
Mahal, Ahmed
Abou-Zied, Osama K.
Voelter, Wolfgang
DB Label: Database : ScienceDirect

원문보기: Full Text (ScienceDirect) 조회 - Impact Factor (JCR) 등재 - Web of Science (SCIE) 등재 - SCOPUS

Predicting resistance of clinical Abl mutations to targeted kinase inhibitors using alchemical free-energy calculations

학술저널

issue: Communications Biology. 1(1)
Author: Hauser, Kevin
Negron, Christopher
Albanese, Steven K.^{Aff2, Aff3}
Ray, Soumya
Steinbrecher, Thomas
Abel, Robert
Chodera, John D.
Wang, Lingle^Aff1
DB Label: Database : Springer Nature Journals

원문보기: 조회 - Impact Factor (JCR) 등재 - Web of Science (SCIE) 등재 - SCOPUS

11th German Conference on Chemoinformatics (GCC 2015): Fulda, Germany. 8–10 November 2015

학술저널

issue: Journal of Cheminformatics. April 2016 8(1):1-27
Author: Fechner, Uli
de Graaf, Chris
Torda, Andrew E.
Güssregen, Stefan
Evers, Andreas
Matter, Hans
Hessler, Gerhard
Richmond, Nicola J.
Schmidtke, Peter
Segler, Marwin H. S.
Waller, Mark P.
Pleik, Stefanie
Shea, Joan-Emma
Levine, Zachary
Mullen, Ryan
van den Broek, Karina
Epple, Matthias
Kuhn, Hubert
Truszkowski, Andreas
Zielesny, Achim
Fraaije, Johannes (Hans)
Gracia, Ruben Serral
Kast, Stefan M.
Bulusu, Krishna C.
Bender, Andreas
Yosipof, Abraham
Nahum, Oren
Senderowitz, Hanoch
Krotzky, Timo
Schulz, Robert
Wolber, Gerhard
Bietz, Stefan
Rarey, Matthias
Zimmermann, Markus O.
Lange, Andreas
Ruff, Manuel
Heidrich, Johannes
Onlia, Ionut
Exner, Thomas E.
Boeckler, Frank M.
Bermudez, Marcel
Firaha, Dzmitry S.
Hollóczki, Oldamur
Kirchner, Barbara
Tautermann, Christofer S.
Volkamer, Andrea
Eid, Sameh
Turk, Samo
Rippmann, Friedrich
Fulle, Simone
Saleh, Noureldin
Saladino, Giorgio
Gervasio, Francesco L.
Haensele, Elke
Banting, Lee
Whitley, David C.
Oliveira Santos, Jana Sopkova-de
Bureau, Ronan
Clark, Timothy
Sandmann, Achim
Lanig, Harald
Kibies, Patrick
Heil, Jochen
Hoffgaard, Franziska
Frach, Roland
Engel, Julian
Smith, Steven
Basu, Debjit
Rauh, Daniel
Kohlbacher, Oliver
Boeckler, Frank M.
Essex, Jonathan W.
Bodnarchuk, Michael S.
Ross, Gregory A.
Finkelmann, Arndt R.
Göller, Andreas H.
Schneider, Gisbert
Husch, Tamara
Schütter, Christoph
Balducci, Andrea
Korth, Martin
Ntie-Kang, Fidele
Günther, Stefan
Sippl, Wolfgang
Mbaze, Luc Meva’a
Ntie-Kang, Fidele
Simoben, Conrad V.
Lifongo, Lydia L.
Ntie-Kang, Fidele
Judson, Philip
Barilla, Jiří
Lokajíček, Miloš V.
Pisaková, Hana
Simr, Pavel
Kireeva, Natalia
Petrov, Alexandre
Ostroumov, Denis
Solovev, Vitaly P.
Pervov, Vladislav S.
Friedrich, Nils-Ole
Sommer, Kai
Rarey, Matthias
Kirchmair, Johannes
Proschak, Eugen
Weber, Julia
Moser, Daniel
Kalinowski, Lena
Achenbach, Janosch
Mackey, Mark
Cheeseright, Tim
Renner, Gerrit
Renner, Gerrit
Schmidt, Torsten C.
Schram, Jürgen
Egelkraut-Holtus, Marion
van Oeyen, Albert
Kalliokoski, Tuomo
Fourches, Denis
Ibezim, Akachukwu
Mbah, Chika J.
Adikwu, Umale M.
Nwodo, Ngozi J.
Steudle, Alexander
Masek, Brian B.
Nagy, Stephan
Baker, David
Soltanshahi, Fred
Dorfman, Roman
Dubrucq, Karen
Patel, Hitesh
Koch, Oliver
Mrugalla, Florian
Kast, Stefan M.
Ain, Qurrat U.
Fuchs, Julian E.
Owen, Robert M.
Omoto, Kiyoyuki
Torella, Rubben
Pryde, David C.
Glen, Robert
Bender, Andreas
Hošek, Petr
Spiwok, Vojtěch
Mervin, Lewis H.
Barrett, Ian
Firth, Mike
Murray, David C.
McWilliams, Lisa
Cao, Qing
Engkvist, Ola
Warszycki, Dawid
Śmieja, Marek
Bojarski, Andrzej J.
Aniceto, Natalia
Freitas, Alex
Ghafourian, Taravat
Herrmann, Guido
Eigner-Pitto, Valentina
Naß, Alexandra
Kurczab, Rafał
Bojarski, Andrzej J.
Lange, Andreas
Günther, Marcel B.
Hennig, Susanne
Büttner, Felix M.
Schall, Christoph
Sievers-Engler, Adrian
Ansideri, Francesco
Koch, Pierre
Stehle, Thilo
Laufer, Stefan
Böckler, Frank M.
Zdrazil, Barbara
Montanari, Floriane
Ecker, Gerhard F.
Grebner, Christoph
Hogner, Anders
Ulander, Johan
Edman, Karl
Guallar, Victor
Tyrchan, Christian
Ulander, Johan
Tyrchan, Christian
Klute, Wolfgang
Bergström, Fredrik
Kramer, Christian
Nguyen, Quoc Dat
Frach, Roland
Kibies, Patrick
Strohfeldt, Steven
Böttcher, Saraphina
Pongratz, Tim
Horinek, Dominik
Kast, Stefan M.
Rupp, Bernd
Al-Yamori, Raed
Lisurek, Michael
Kühne, Ronald
Furtado, Filipe
van den Broek, Karina
Wessjohann, Ludger
Mathea, Miriam
Baumann, Knut
Mohamad-Zobir, Siti Zuraidah
Fu, Xianjun
Fan, Tai-Ping
Bender, Andreas
Kuhn, Maximilian A.
Sotriffer, Christoph A.
Zoufir, Azedine
Li, Xitong
Mervin, Lewis
Berg, Ellen
Polokoff, Mark
Ihlenfeldt, Wolf D.
Ihlenfeldt, Wolf D.
Pretzel, Jette
Alhalabi, Zayan
Fraczkiewicz, Robert
Waldman, Marvin
Clark, Robert D.
Shaikh, Neem
Garg, Prabha
Kos, Alexander
Himmler, Hans-Jürgen
Sandmann, Achim
Jardin, Christophe
Sticht, Heinrich
Steinbrecher, Thomas B.
Dahlgren, Markus
Cappel, Daniel
Lin, Teng
Wang, Lingle
Krilov, Goran
Abel, Robert
Friesner, Richard
Sherman, Woody
Pöhner, Ina A.
Panecka, Joanna
Wade, Rebecca C.
Bietz, Stefan
Schomburg, Karen T.
Hilbig, Matthias
Rarey, Matthias
Jäger, Christian
Wieczorek, Vivien
Westerhoff, Lance M.
Borbulevych, Oleg Y.
Demuth, Hans-Ulrich
Buchholz, Mirko
Schmidt, Denis
Rickmeyer, Thomas
Krotzky, Timo
Kolb, Peter
Mittal, Sumit
Sánchez-García, Elsa
Nogueira, Mauro S.
Oliveira, Tiago B.
da Costa, Fernando B.
Schmidt, Thomas J.
DB Label: Database : Springer Nature Journals

원문보기: Full Text (원문보기) OA (Springer) Open Access (BioMed Central) 조회 - Impact Factor (JCR) 등재 - Web of Science (SCIE) 등재 - SCOPUS

Free energy calculations on the binding of novel thiolactomycin derivatives to E. coli fatty acid synthase I

학술저널

issue: In Bioorganic & Medicinal Chemistry 1 June 2012 20(11):3446-3453
Author: Steinbrecher, Thomas
Case, David A.
Labahn, Andreas
DB Label: Database : ScienceDirect

원문보기: Full Text (ScienceDirect) 조회 - Impact Factor (JCR) 등재 - Web of Science (SCIE) 등재 - SCOPUS

A Direct Simulation of Adiabatic Charge Transfer Through Bridged Organic Molecules

학술저널

issue: Zeitschrift für Physikalische Chemie: International journal of research in physical chemistry and chemical physics. 223(7):739-752
Author: Koslowski, Thorsten^{c1_w2aab2b8c11b1b7b1aab1b4aAa}
Steinbrecher, Thomas
DB Label: Database : De Gruyter Online

원문보기: Full Text(De Gruyter) 조회 - Impact Factor (JCR) 등재 - Web of Science (SCIE) 등재 - SCOPUS

Performance of Relative Binding Free Energy Calculations on an Automatically Generated Dataset of Halogen-Deshalogen Matched Molecular Pairs

학술저널

issue: JOURNAL OF CHEMICAL INFORMATION AND MODELING; JUL 26 2021, 61 7, p3421-p3430, 10p.
Author: Cappel, Daniel
Mozziconacci, Jean-Christophe
Braun, Tatjana
Steinbrecher, Thomas
DB Label: Database : Science Citation Index Expanded