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중앙아시아연구
ISSN
P 1738-0200
출판사
중앙아시아학회
국가
SOUTH KOREA
발행 상태
비활성
데이터베이스 수록 정보
KCI 2009-2025 (17년)
KCI 등재 2006-2026 (21년)
KCI 등재후보 2003-2005 (3년)
전체 6건 중 1번부터 6번까지의 결과를 표시합니다.
2024
Article
De novo drug design through gradient-based regularized search in information-theoretically controlled latent space
- Jang, Hyosoon ;
- Seo, Sangmin ;
- Park, Sanghyun ;
- Kim, Byung Ju ;
- Choi, Geon-Woo ;
- ... Park, Chihyun ;
- 외 1명
- 2024-12
- Journal of Computer-Aided Molecular Design
- SPRINGER
2017
Article
Absolute binding free energies for octa-acids and guests in SAMPL5 Evaluating binding free energies for octa-acid and guest complexes in the SAMPL5 blind challenge
- Tofoleanu, Florentina ;
- Lee, Juyong ;
- Pickard, Frank C. ;
- Koenig, Gerhard ;
- Huang, Jing ;
- 외 3명
- 2017-01
- Journal of Computer-Aided Molecular Design
- SPRINGER
Article
Absolute binding free energy calculations of CBClip host-guest systems in the SAMPL5 blind challenge
- Lee, Juyong ;
- Tofoleanu, Florentina ;
- Pickard, Frank C. ;
- Konig, Gerhard ;
- Huang, Jing ;
- 외 4명
- 2017-01
- Journal of Computer-Aided Molecular Design
- SPRINGER
2016
Article
Calculating distribution coefficients based on multi-scale free energy simulations: an evaluation of MM and QM/MM explicit solvent simulations of water-cyclohexane transfer in the SAMPL5 challenge
- Koenig, Gerhard ;
- Pickard, Frank C. ;
- Huang, Jing ;
- Simmonett, Andrew C. ;
- Tofoleanu, Florentina ;
- 외 7명
- 2016-11
- Journal of Computer-Aided Molecular Design
- SPRINGER
Article
Blind prediction of distribution in the SAMPL5 challenge with QM based protomer and pK a corrections
- Pickard, Frank C. ;
- Koenig, Gerhard ;
- Tofoleanu, Florentina ;
- Lee, Juyong ;
- Simmonett, Andrew C. ;
- 외 3명
- 2016-11
- Journal of Computer-Aided Molecular Design
- SPRINGER
2008
Article
Molecular dynamics simulation study of PTP1B with allosteric inhibitor and its application in receptor based pharmacophore modeling
- Bharatham, Kavitha ;
- Bharatham, Nagakumar ;
- Kwon, Yong Jung ;
- Lee, Keun Woo
- 2008-12
- Journal of Computer-Aided Molecular Design
- SPRINGER