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Kamran Haider
Kamran Haider
Nested Therapeutics
在 nestedtx.com 的电子邮件经过验证
标题
引用次数
引用次数
年份
Hydrogen bonds in proteins: role and strength
RE Hubbard, MK Haider
Encyclopedia of life sciences 1, 1-6, 2010
4372010
Encyclopedia of life sciences
RE Hubbard, MK Haider
John Wiley & Sons, Ltd, 2010
602010
Solvation structure and thermodynamic mapping (SSTMap): an open-source, flexible package for the analysis of water in molecular dynamics trajectories
K Haider, A Cruz, S Ramsey, MK Gilson, T Kurtzman
Journal of chemical theory and computation 14 (1), 418-425, 2018
552018
Predicting fragment binding poses using a combined MCSS MM-GBSA approach
MK Haider, HO Bertrand, RE Hubbard
Journal of chemical information and modeling 51 (5), 1092-1105, 2011
552011
Network analysis of a proposed exit pathway for protons to the P-side of cytochrome c oxidase
X Cai, K Haider, J Lu, S Radic, CY Son, Q Cui, MR Gunner
Biochimica et Biophysica Acta (BBA)-Bioenergetics 1859 (10), 997-1005, 2018
502018
Combining solvent thermodynamic profiles with functionality maps of the Hsp90 binding site to predict the displacement of water molecules
K Haider, DJ Huggins
Journal of chemical information and modeling 53 (10), 2571-2586, 2013
462013
Enthalpic breakdown of water structure on protein active-site surfaces
K Haider, L Wickstrom, S Ramsey, MK Gilson, T Kurtzman
The Journal of Physical Chemistry B 120 (34), 8743-8756, 2016
432016
eLS
RE Hubbard, MK Haider
John Wiley & Sons, Ltd,, 2001
292001
A combined treatment of hydration and dynamical effects for the modeling of host–guest binding thermodynamics: the SAMPL5 blinded challenge
RK Pal, K Haider, D Kaur, W Flynn, J Xia, RM Levy, T Taran, L Wickstrom, ...
Journal of computer-aided molecular design 31, 29-44, 2017
232017
Characterizing the water wire in the Gramicidin channel found by Monte Carlo sampling using continuum electrostatics and in molecular dynamics trajectories with conventional or …
Y Zhang, K Haider, D Kaur, VA Ngo, X Cai, J Mao, U Khaniya, X Zhu, ...
Journal of Computational Biophysics and Chemistry 20 (02), 111-130, 2021
172021
Hydrogen bonds in proteins: Role and Strength. eLS 2010
RE Hubbard, MK Haider
Google Scholar, 2010
142010
Hydrogen Bonds in Proteins: Role and Strength; eLS John Wiley & Sons
RE Hubbard, MK Haider
Ltd.: Hoboken, NJ, USA, 2010
72010
Structural modeling of HCV NS3/4A serine protease drug-resistance mutations using end-point continuum solvation and side-chain flexibility calculations
HA Hotiana, MK Haider
Journal of chemical information and modeling 53 (2), 435-451, 2013
42013
Computational analyses of protein-ligand interactions
K Haider
University of York, 2010
42010
Erratum to: A combined treatment of hydration and dynamical effects for the modeling of host-guest binding thermodynamics: the SAMPL5 blinded challenge
RK Pal, K Haider, D Kaur, W Flynn, J Xia, RM Levy, T Taran, L Wickstrom, ...
Journal of computer-aided molecular design 31 (1), 45, 2017
12017
Machine Learning ADME Models in Practice: Four Guidelines from a Successful Lead Optimization Case Study
AS Rich, YH Chan, B Birnbaum, K Haider, J Haimson, M Hale, Y Han, ...
ACS Medicinal Chemistry Letters, 2024
2024
Solvation structure and thermodynamic mapping (SSTMap): Open-source software package for the analysis of water in molecular dynamics trajectories
K Haider, A Cruz, S Ramsey, M Gilson, T Kurtzman
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019
2019
SSTMap: A computational tool creating solvation thermodynamic and structural maps from molecular dynamics trajectories
S Ramsey, K Haider, A Cruz, M Gilson, T Kurtzman
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018
2018
A combined treatment of hydration and dynamical effects for the modeling of host-guest binding thermodynamics: the SAMPL5 blinded challenge (vol 31, pg 29, 2017)
RK Pal, K Haider, D Kaur, W Flynn, J Xia, RM Levy, T Taran, L Wickstrom, ...
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN 31 (1), 45-45, 2017
2017
Making a splash in implicit solvent: Application of inhomogeneous solvation theory and continuum solvation to host-guest binding affinity predictions
L Wickstrom, R Pal, K Haider, J Xia, W Flynn, T Kurtzman, R Levy, ...
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016
2016
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