1. Computational screening of chalcones acting against topoisomerase IIα and their cytotoxicity towards cancer cell lines. (1st January 2019) Authors: Sangpheak, Kanyani; Mueller, Monika; Darai, Nitchakan; Wolschann, Peter; Suwattanasophon, Chonticha; Ruga, Ritbey; Chavasiri, Warinthon; Seetaha, Supaporn; Choowongkomon, Kiattawee; Kungwan, Nawee; Rungnim, Chompoonut; Rungrotmongkol, Thanyada Journal: Journal of enzyme inhibition and medicinal chemistry Issue: Volume 34:Number 1(2019) Page Start: 134 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Conformation study of ɛ-cyclodextrin: Replica exchange molecular dynamics simulations. (5th May 2016) Authors: Khuntawee, Wasinee; Rungrotmongkol, Thanyada; Wolschann, Peter; Pongsawasdi, Piamsook; Kungwan, Nawee; Okumura, Hisashi; Hannongbua, Supot Journal: Carbohydrate polymers Issue: Volume 141(2016) Page Start: 99 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Conformation study of ɛ-cyclodextrin: Replica exchange molecular dynamics simulations. (5th May 2016) Authors: Khuntawee, Wasinee; Rungrotmongkol, Thanyada; Wolschann, Peter; Pongsawasdi, Piamsook; Kungwan, Nawee; Okumura, Hisashi; Hannongbua, Supot Journal: Carbohydrate polymers Issue: Volume 141(2016) Page Start: 99 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Key Structural Features of Azanaphthoquinone Annelated Pyrrole Derivative as Anticancer Agents Based on the Rational Drug Design Approaches. Issue 5 (11th June 2013) Authors: Kamsri, Pharit; Punkvang, Auradee; Pongprom, Nipawan; Srisupan, Apinya; Saparpakorn, Patchreenart; Hannongbua, Supa; Wolschann, Peter; Pungpo, Pornpan Journal: Molecular informatics Issue: Volume 32:Issue 5/6(2013:Jun.) Page Start: 541 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Key Structures and Interactions for Binding of Mycobacterium tuberculosis Protein Kinase B Inhibitors from Molecular Dynamics Simulation. (24th November 2014) Authors: Punkvang, Auradee; Kamsri, Pharit; Saparpakorn, Patchreenart; Hannongbua, Supa; Wolschann, Peter; Irle, Stephan; Pungpo, Pornpan Journal: Chemical biology & drug design Issue: Volume 86:Number 1(2015:Jul.) Page Start: 871 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Metadynamics supports molecular dynamics simulation-based binding affinities of eucalyptol and beta-cyclodextrin inclusion complexes. Issue 80 (1st November 2017) Authors: Nutho, Bodee; Nunthaboot, Nadtanet; Wolschann, Peter; Kungwan, Nawee; Rungrotmongkol, Thanyada Journal: RSC advances Issue: Volume 7:Issue 80(2017) Page Start: 50899 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Molecular dynamics simulations on the interaction of the transmembrane NavAb channel with cholesterol and lipids in the membrane. Issue 2 (1st February 2016) Authors: Suwattanasophon, Chonticha; Wolschann, Peter; Faller, Roland Journal: Journal of biomolecular structure & dynamics Issue: Volume 34:Issue 2(2016) Page Start: 318 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Structural dynamics and binding free energy of neral-cyclodextrins inclusion complexes: molecular dynamics simulation. Issue 13 (2nd November 2017) Authors: Wongpituk, Peerapong; Nutho, Bodee; Panman, Wanwisa; Kungwan, Nawee; Wolschann, Peter; Rungrotmongkol, Thanyada; Nunthaboot, Nadtanet Journal: Molecular simulation Issue: Volume 43:Issue 13/16(2017) Page Start: 1356 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Structural dynamics and susceptibility of anti-HIV drugs against HBV reverse transcriptase. Issue 7 (9th April 2021) Authors: Kammarabutr, Jirayu; Mahalapbutr, Panupong; Okumura, Hisashi; Wolschann, Peter; Rungrotmongkol, Thanyada Journal: Journal of biomolecular structure & dynamics Issue: Volume 39:Issue 7(2021) Page Start: 2502 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗